5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C29H28ClN5O2 — CID 161167389

About 5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 161167389) has the molecular formula C29H28ClN5O2 and a molecular weight of 514.03 g/mol. Its IUPAC name is 5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
• PubChem CID: 161167389
• Molecular Formula: C29H28ClN5O2
• Molecular Weight: 514.03 g/mol
• Exact Mass: 513.19
• IUPAC Name: 5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
• SMILES: Cc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3cnc4c(c3)CC=C4)c3ccccc32)CC1
• InChI: InChI=1S/C29H28ClN5O2/c1-18-24(14-21(30)15-31-18)28(36)33-22-11-9-19(10-12-22)17-34-26-7-2-3-8-27(26)35(29(34)37)23-13-20-5-4-6-25(20)32-16-23/h2-4,6-8,13-16,19,22H,5,9-12,17H2,1H3,(H,33,36)
• InChIKey: UQSNEPORAAFYDU-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 81.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.03
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?

The IUPAC name of 5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 161167389) is 5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?

The canonical SMILES for 5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3cnc4c(c3)CC=C4)c3ccccc32)CC1.

What is the InChIKey of 5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?

The InChIKey is UQSNEPORAAFYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN5O2/c1-18-24(14-21(30)15-31-18)28(36)33-22-11-9-19(10-12-22)17-34-26-7-2-3-8-27(26)35(29(34)37)23-13-20-5-4-6-25(20)32-16-23/h2-4,6-8,13-16,19,22H,5,9-12,17H2,1H3,(H,33,36).

What are the key properties of 5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?

5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 514.03 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-[[3-(5H-cyclopenta[b]pyridin-3-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 161167389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).