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Also known as: 2828567-39-9, 2-(5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl)-n-(4-(4-methylpiperazin-1-yl)phenyl)-1h-imidazole-5-carboxamide, 2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-n-[4-(4-methylpiperazin-1-yl)phenyl]-1h-imidazole-5-carboxamide, Schembl24736365, Gtpl13279, Bdbm585253

Molecular Formula

C₂₇H₃₀FN₇O

Molecular Weight

487.6 g/mol

InChI Key

ZVDNXHUSIKGTSF-UHFFFAOYSA-N

1 2D Structure

INS018_055

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide

2.1.2 InChI

InChI=1S/C27H30FN7O/c1-18(2)35-17-30-24(19-4-6-20(28)7-5-19)25(35)26-29-16-23(32-26)27(36)31-21-8-10-22(11-9-21)34-14-12-33(3)13-15-34/h4-11,16-18H,12-15H2,1-3H3,(H,29,32)(H,31,36)

2.1.3 InChI Key

ZVDNXHUSIKGTSF-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2828567-39-9

2. 2-(5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl)-n-(4-(4-methylpiperazin-1-yl)phenyl)-1h-imidazole-5-carboxamide

3. 2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-n-[4-(4-methylpiperazin-1-yl)phenyl]-1h-imidazole-5-carboxamide

4. Schembl24736365

5. Gtpl13279

6. Bdbm585253

7. Ex-a9780

8. Us11530197, Compound 112

9. Compound 4 [pmid: 39422731]

10. Ins018 055

11. Ins018-055

12. Ins018_055

13. Ins-018-055

14. Ins-018_055

15. Compound 112 [wo2022179528]

16. Hy-160623

17. Cs-1012151

18. General Procedure For Preparation Of 5'-(4-fluorophenyl)-3'-isopropyl-n-(4-(4-methylpiperazin-1-yl)phenyl)-1h,3'h-[2,4'-biimidazole]-4-carboxamide

2.3 Create Date

2022-09-27

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₃₀FN₇O
Molecular Weight	487.6 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	82.1
Heavy Atom Count	36
Formal Charge	0
Complexity	717
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

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