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

C32H27N5O2 — CID 5276092

IUPAC1-cyclohexyl-2-[2-(4-imidazol-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccc(-n5ccnc5)cc4)ccc3c1)n2C1CCCCC1
InChIInChI=1S/C32H27N5O2/c38-32(39)24-10-15-30-29(19-24)35-31(37(30)26-4-2-1-3-5-26)23-9-14-28-22(18-23)8-13-27(34-28)21-6-11-25(12-7-21)36-17-16-33-20-36/h6-20,26H,1-5H2,(H,38,39)
InChIKeyWUKWLAOMHRWCOT-UHFFFAOYSA-N
MW513.60 g/mol
LogP7.31
Rot. Bonds5

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

1-cyclohexyl-2-[2-(4-imidazol-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid (PubChem CID 5276092) has the molecular formula C32H27N5O2 and a molecular weight of 513.60 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(4-imidazol-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(4-imidazol-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid
PubChem CID5276092
Molecular FormulaC32H27N5O2
Molecular Weight513.60 g/mol
Exact Mass513.22
IUPAC Name1-cyclohexyl-2-[2-(4-imidazol-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccc(-n5ccnc5)cc4)ccc3c1)n2C1CCCCC1
InChIInChI=1S/C32H27N5O2/c38-32(39)24-10-15-30-29(19-24)35-31(37(30)26-4-2-1-3-5-26)23-9-14-28-22(18-23)8-13-27(34-28)21-6-11-25(12-7-21)36-17-16-33-20-36/h6-20,26H,1-5H2,(H,38,39)
InChIKeyWUKWLAOMHRWCOT-UHFFFAOYSA-N
XLogP7.31
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(4-imidazol-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-[2-(4-imidazol-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid (CID 5276092) is 1-cyclohexyl-2-[2-(4-imidazol-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-[2-(4-imidazol-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-[2-(4-imidazol-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccc(-n5ccnc5)cc4)ccc3c1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-(4-imidazol-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid?
The InChIKey is WUKWLAOMHRWCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5O2/c38-32(39)24-10-15-30-29(19-24)35-31(37(30)26-4-2-1-3-5-26)23-9-14-28-22(18-23)8-13-27(34-28)21-6-11-25(12-7-21)36-17-16-33-20-36/h6-20,26H,1-5H2,(H,38,39).
What are the key properties of 1-cyclohexyl-2-[2-(4-imidazol-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid?
1-cyclohexyl-2-[2-(4-imidazol-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid has a molecular weight of 513.60 g/mol, XLogP of 7.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(4-imidazol-1-ylphenyl)quinolin-6-yl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 5276092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).