1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carboxylic acid

C28H24N4O2 — CID 5275974

IUPAC1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc3ncc(-c4ccccc4)nc3c1)n2C1CCCCC1
InChIInChI=1S/C28H24N4O2/c33-28(34)20-12-14-26-24(16-20)31-27(32(26)21-9-5-2-6-10-21)19-11-13-22-23(15-19)30-25(17-29-22)18-7-3-1-4-8-18/h1,3-4,7-8,11-17,21H,2,5-6,9-10H2,(H,33,34)
InChIKeyOCYWAAMZOKEANA-UHFFFAOYSA-N
MW448.53 g/mol
LogP6.52
Rot. Bonds4

About 1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carboxylic acid

1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carboxylic acid (PubChem CID 5275974) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carboxylic acid
PubChem CID5275974
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc3ncc(-c4ccccc4)nc3c1)n2C1CCCCC1
InChIInChI=1S/C28H24N4O2/c33-28(34)20-12-14-26-24(16-20)31-27(32(26)21-9-5-2-6-10-21)19-11-13-22-23(15-19)30-25(17-29-22)18-7-3-1-4-8-18/h1,3-4,7-8,11-17,21H,2,5-6,9-10H2,(H,33,34)
InChIKeyOCYWAAMZOKEANA-UHFFFAOYSA-N
XLogP6.52
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CID 73755260
2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid
CID 619926
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
Methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
CID 146316027
4-[Ethyl-[4-(3-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
CID 146627023
4-(2-Amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)benzoic acid
CID 705209
1-Methyl-1H-benzimidazole-5-carboxylic acid
CID 4913063
Pomisartan
CID 3050407
1-Cyclohexylbenzodiazole-5-carboxylic acid
CID 513903
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
2-[(4-Propan-2-Ylphenyl)amino]-1-[(1~{s},5~{s})-3,3,5-Trimethylcyclohexyl]benzimidazole-5-Carboxylic Acid
CID 118311107

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carboxylic acid (CID 5275974) is 1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc3ncc(-c4ccccc4)nc3c1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carboxylic acid?
The InChIKey is OCYWAAMZOKEANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c33-28(34)20-12-14-26-24(16-20)31-27(32(26)21-9-5-2-6-10-21)19-11-13-22-23(15-19)30-25(17-29-22)18-7-3-1-4-8-18/h1,3-4,7-8,11-17,21H,2,5-6,9-10H2,(H,33,34).
What are the key properties of 1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carboxylic acid?
1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carboxylic acid has a molecular weight of 448.53 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 5275974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).