5-methyl-2-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-1-phenylbenzimidazole

C24H22N4 — CID 90644304

IUPAC5-methyl-2-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-1-phenylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCc1nc(C)c3ccccn13)n2-c1ccccc1
InChIInChI=1S/C24H22N4/c1-17-11-12-22-20(16-17)26-24(28(22)19-8-4-3-5-9-19)14-13-23-25-18(2)21-10-6-7-15-27(21)23/h3-12,15-16H,13-14H2,1-2H3
InChIKeyLYGYNRYVCVISDE-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.08
Rot. Bonds4

About 5-methyl-2-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-1-phenylbenzimidazole

5-methyl-2-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-1-phenylbenzimidazole (PubChem CID 90644304) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-methyl-2-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name5-methyl-2-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-1-phenylbenzimidazole
PubChem CID90644304
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name5-methyl-2-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-1-phenylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCc1nc(C)c3ccccn13)n2-c1ccccc1
InChIInChI=1S/C24H22N4/c1-17-11-12-22-20(16-17)26-24(28(22)19-8-4-3-5-9-19)14-13-23-25-18(2)21-10-6-7-15-27(21)23/h3-12,15-16H,13-14H2,1-2H3
InChIKeyLYGYNRYVCVISDE-UHFFFAOYSA-N
XLogP5.08
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-1-phenylbenzimidazole?
The IUPAC name of 5-methyl-2-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-1-phenylbenzimidazole (CID 90644304) is 5-methyl-2-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-1-phenylbenzimidazole.
What is the SMILES notation for 5-methyl-2-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-1-phenylbenzimidazole?
The canonical SMILES for 5-methyl-2-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-1-phenylbenzimidazole is Cc1ccc2c(c1)nc(CCc1nc(C)c3ccccn13)n2-c1ccccc1.
What is the InChIKey of 5-methyl-2-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-1-phenylbenzimidazole?
The InChIKey is LYGYNRYVCVISDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-17-11-12-22-20(16-17)26-24(28(22)19-8-4-3-5-9-19)14-13-23-25-18(2)21-10-6-7-15-27(21)23/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of 5-methyl-2-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-1-phenylbenzimidazole?
5-methyl-2-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-1-phenylbenzimidazole has a molecular weight of 366.47 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-1-phenylbenzimidazole is sourced from PubChem (CID 90644304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).