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

C19H19N3O2 — CID 513909

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 Name1-cyclohexyl-2-pyridin-3-ylbenzimidazole-5-carboxylic acid
PubChem CID513909
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-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
XLogP4.30
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).