1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide

C32H28N4O3 — CID 142198186

IUPAC1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide
SMILESO=NC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3ncccc3-c3ccccc3)cc1)n2C1CCCCC1
InChIInChI=1S/C32H28N4O3/c37-32(35-38)24-15-18-30-28(20-24)34-31(36(30)25-10-5-2-6-11-25)23-13-16-26(17-14-23)39-21-29-27(12-7-19-33-29)22-8-3-1-4-9-22/h1,3-4,7-9,12-20,25H,2,5-6,10-11,21H2
InChIKeyJPGJSPVHGQHEAR-UHFFFAOYSA-N
MW516.60 g/mol
LogP7.76
Rot. Bonds7

About 1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide

1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide (PubChem CID 142198186) has the molecular formula C32H28N4O3 and a molecular weight of 516.60 g/mol. Its IUPAC name is 1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide
PubChem CID142198186
Molecular FormulaC32H28N4O3
Molecular Weight516.60 g/mol
Exact Mass516.22
IUPAC Name1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide
SMILESO=NC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3ncccc3-c3ccccc3)cc1)n2C1CCCCC1
InChIInChI=1S/C32H28N4O3/c37-32(35-38)24-15-18-30-28(20-24)34-31(36(30)25-10-5-2-6-11-25)23-13-16-26(17-14-23)39-21-29-27(12-7-19-33-29)22-8-3-1-4-9-22/h1,3-4,7-9,12-20,25H,2,5-6,10-11,21H2
InChIKeyJPGJSPVHGQHEAR-UHFFFAOYSA-N
XLogP7.76
TPSA86.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.60
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(2-phenylphenyl)benzoic acid
CID 6483203
1-cyclohexyl-2-[4-(3,3-diphenylpropoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10165388
1-cyclohexyl-2-[4-(3-phenylpropoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10275979
methyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate
CID 59016327
1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 23515913
1-cyclohexyl-2-(4-phenoxyphenyl)benzimidazole-5-carboxylic acid;(2-methyl-4-pyridinyl)methanol
CID 142198274
1-cyclohexyl-2-[4-[[(2S)-1-phenylpyrrolidin-2-yl]methoxy]phenyl]benzimidazole-5-carboxylic acid;hydrochloride
CID 69472677
6-(5-carboxy-1-cyclohexylbenzimidazol-2-yl)-3-quinolin-6-ylquinoline-2-carboxylic acid
CID 140534262
2-[4-[[2-(4-chlorophenyl)-5-(dimethylcarbamoyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 11845101
2-[4-[[2-(4-chlorophenyl)-5-methylphenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;formamide
CID 142962536
4-(4-chlorophenyl)-3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]benzoic acid
CID 6483197
1-cyclohexyl-2-[4-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)ethoxy]phenyl]benzimidazole-5-carboxylic acid
CID 69470368

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide (CID 142198186) is 1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide is O=NC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3ncccc3-c3ccccc3)cc1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide?
The InChIKey is JPGJSPVHGQHEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O3/c37-32(35-38)24-15-18-30-28(20-24)34-31(36(30)25-10-5-2-6-11-25)23-13-16-26(17-14-23)39-21-29-27(12-7-19-33-29)22-8-3-1-4-9-22/h1,3-4,7-9,12-20,25H,2,5-6,10-11,21H2.
What are the key properties of 1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide?
1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide has a molecular weight of 516.60 g/mol, XLogP of 7.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-oxo-2-[4-[(3-phenyl-2-pyridinyl)methoxy]phenyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 142198186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).