1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid

Name: 1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₉N₃O₂ — CID 513909

Data last refreshed: 2026-04-14 (MolForge compound catalog, from PubChem)

IUPAC1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid

SMILESO=C(O)c1ccc2c(c1)nc(-c1cccnc1)n2C1CCCCC1

InChIInChI=1S/C19H19N3O2/c23-19(24)13-8-9-17-16(11-13)21-18(14-5-4-10-20-12-14)22(17)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H,23,24)

InChIKeyVWPMOWBTEWHDCX-UHFFFAOYSA-N

MW321.38 g/mol

LogP4.30

Rot. Bonds3

About 1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid

1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid (PubChem CID 513909) has the molecular formula C₁₉H₁₉N₃O₂ and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name	1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid
PubChem CID	513909
Molecular Formula	C₁₉H₁₉N₃O₂
Molecular Weight	321.38 g/mol
Exact Mass	321.15
IUPAC Name	1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid
SMILES	O=C(O)c1ccc2c(c1)nc(-c1cccnc1)n2C1CCCCC1
InChI	InChI=1S/C19H19N3O2/c23-19(24)13-8-9-17-16(11-13)21-18(14-5-4-10-20-12-14)22(17)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H,23,24)
InChIKey	VWPMOWBTEWHDCX-UHFFFAOYSA-N
XLogP	4.30
TPSA	68.01 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.38
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid?

The IUPAC name of 1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid (CID 513909) is 1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid.

What is the SMILES notation for 1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid?

The canonical SMILES for 1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1cccnc1)n2C1CCCCC1.

What is the InChIKey of 1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid?

The InChIKey is VWPMOWBTEWHDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(24)13-8-9-17-16(11-13)21-18(14-5-4-10-20-12-14)22(17)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H,23,24).

What are the key properties of 1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid?

1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 513909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 513909 — identifiers, structure, computed properties (public domain)

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