CAS 202189-77-3

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Also known as: 202189-77-3, 2-[2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]propan-2-yl]-4,4-dimethyl-5h-1,3-oxazole, 1h-benzimidazole, 2-[1-[2-[4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]phenyl]ethyl]-4-piperidinyl]-1-(2-ethoxyethyl)-, Schembl993636, Dtxsid901102878, 2-(2-(4-(2-(4-(1-(2-ethoxyethyl)-1h-benzo[d]imidazol-2-yl)piperidin-1-yl)ethyl)phenyl)propan-2-yl)-4,4-dimethyl-4,5-dihydrooxazole

Molecular Formula

C₃₂H₄₄N₄O₂

Molecular Weight

516.7 g/mol

InChI Key

MXKMEANVUFWYSG-UHFFFAOYSA-N

1 2D Structure

CAS 202189-77-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole

2.1.2 InChI

InChI=1S/C32H44N4O2/c1-6-37-22-21-36-28-10-8-7-9-27(28)33-29(36)25-16-19-35(20-17-25)18-15-24-11-13-26(14-12-24)32(4,5)30-34-31(2,3)23-38-30/h7-14,25H,6,15-23H2,1-5H3

2.1.3 InChI Key

MXKMEANVUFWYSG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C5=NC(CO5)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 202189-77-3

2. 2-[2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]propan-2-yl]-4,4-dimethyl-5h-1,3-oxazole

3. 1h-benzimidazole, 2-[1-[2-[4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]phenyl]ethyl]-4-piperidinyl]-1-(2-ethoxyethyl)-

4. Schembl993636

5. Dtxsid901102878

6. 2-(2-(4-(2-(4-(1-(2-ethoxyethyl)-1h-benzo[d]imidazol-2-yl)piperidin-1-yl)ethyl)phenyl)propan-2-yl)-4,4-dimethyl-4,5-dihydrooxazole

7. 2-(2-(4-(2-(4-(1-(2-ethoxyethyl)-1h-benzo[d]imidazol- 2yl)piperidin-1-yl)ethyl)phenyl)propan-2-yl)-4,4- Dimethyl-4,5-dihydrooxazole

8. 2-[1-[2-[4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]phenyl]ethyl]-4-piperidinyl]-1-(2-ethoxyethyl)-1h-benzimidazole

2.3 Create Date

2009-05-30

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₄₄N₄O₂
Molecular Weight	516.7 g/mol
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	51.9
Heavy Atom Count	38
Formal Charge	0
Complexity	782
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1