1-cyclohexyl-2-[2-(2-pyridin-4-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid

C34H28N4O2 — CID 5275995

IUPAC1-cyclohexyl-2-[2-(2-pyridin-4-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4-c4ccncc4)ccc3c1)n2C1CCCCC1
InChIInChI=1S/C34H28N4O2/c39-34(40)25-12-15-32-31(21-25)37-33(38(32)26-6-2-1-3-7-26)24-11-13-29-23(20-24)10-14-30(36-29)28-9-5-4-8-27(28)22-16-18-35-19-17-22/h4-5,8-21,26H,1-3,6-7H2,(H,39,40)
InChIKeyFIPKAQDSCSKXSJ-UHFFFAOYSA-N
MW524.62 g/mol
LogP8.18
Rot. Bonds5

About 1-cyclohexyl-2-[2-(2-pyridin-4-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid

1-cyclohexyl-2-[2-(2-pyridin-4-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid (PubChem CID 5275995) has the molecular formula C34H28N4O2 and a molecular weight of 524.62 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(2-pyridin-4-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(2-pyridin-4-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid
PubChem CID5275995
Molecular FormulaC34H28N4O2
Molecular Weight524.62 g/mol
Exact Mass524.22
IUPAC Name1-cyclohexyl-2-[2-(2-pyridin-4-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4-c4ccncc4)ccc3c1)n2C1CCCCC1
InChIInChI=1S/C34H28N4O2/c39-34(40)25-12-15-32-31(21-25)37-33(38(32)26-6-2-1-3-7-26)24-11-13-29-23(20-24)10-14-30(36-29)28-9-5-4-8-27(28)22-16-18-35-19-17-22/h4-5,8-21,26H,1-3,6-7H2,(H,39,40)
InChIKeyFIPKAQDSCSKXSJ-UHFFFAOYSA-N
XLogP8.18
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.62
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(2-pyridin-4-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-[2-(2-pyridin-4-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid (CID 5275995) is 1-cyclohexyl-2-[2-(2-pyridin-4-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-[2-(2-pyridin-4-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-[2-(2-pyridin-4-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4-c4ccncc4)ccc3c1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-(2-pyridin-4-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid?
The InChIKey is FIPKAQDSCSKXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N4O2/c39-34(40)25-12-15-32-31(21-25)37-33(38(32)26-6-2-1-3-7-26)24-11-13-29-23(20-24)10-14-30(36-29)28-9-5-4-8-27(28)22-16-18-35-19-17-22/h4-5,8-21,26H,1-3,6-7H2,(H,39,40).
What are the key properties of 1-cyclohexyl-2-[2-(2-pyridin-4-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid?
1-cyclohexyl-2-[2-(2-pyridin-4-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid has a molecular weight of 524.62 g/mol, XLogP of 8.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(2-pyridin-4-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 5275995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).