1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid

C42H32N6O2 — CID 140534147

IUPAC1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(nc(-c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)n2C2CCCCC2)c1-c1ccc2nccnc2c1
InChIInChI=1S/C42H32N6O2/c49-42(50)31-18-21-36-40(37(31)28-16-19-32-34(24-28)44-23-22-43-32)47-41(48(36)30-14-8-3-9-15-30)29-17-20-33-35(25-29)46-39(27-12-6-2-7-13-27)38(45-33)26-10-4-1-5-11-26/h1-2,4-7,10-13,16-25,30H,3,8-9,14-15H2,(H,49,50)
InChIKeyWZTZIGZGQPKHIS-UHFFFAOYSA-N
MW652.76 g/mol
LogP9.79
Rot. Bonds6

About 1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid

1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid (PubChem CID 140534147) has the molecular formula C42H32N6O2 and a molecular weight of 652.76 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid
PubChem CID140534147
Molecular FormulaC42H32N6O2
Molecular Weight652.76 g/mol
Exact Mass652.26
IUPAC Name1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(nc(-c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)n2C2CCCCC2)c1-c1ccc2nccnc2c1
InChIInChI=1S/C42H32N6O2/c49-42(50)31-18-21-36-40(37(31)28-16-19-32-34(24-28)44-23-22-43-32)47-41(48(36)30-14-8-3-9-15-30)29-17-20-33-35(25-29)46-39(27-12-6-2-7-13-27)38(45-33)26-10-4-1-5-11-26/h1-2,4-7,10-13,16-25,30H,3,8-9,14-15H2,(H,49,50)
InChIKeyWZTZIGZGQPKHIS-UHFFFAOYSA-N
XLogP9.79
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 59.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid with MolForge

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Related Compounds

6-(5-carboxy-1-cyclohexylbenzimidazol-2-yl)-3-quinolin-6-ylquinoline-2-carboxylic acid
CID 140534262
2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 135730670
2-[2,3-bis(4-amino-2,3-dimethylphenyl)quinoxalin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 68928547
1-cyclohexyl-6-phenyl-2-(2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)-4-(1,2,3,4-tetrahydroquinolin-6-yl)benzimidazole-5-carboxylic acid
CID 140534106
1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid
CID 23515705
1-cyclohexyl-2-[4-[(quinoxalin-2-ylamino)carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515634
1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
CID 23515701
2-[3-(benzhydrylcarbamoyl)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 23515900
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
6-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-[2-[2-chloro-4-(4-chlorophenoxy)phenyl]quinolin-6-yl]-1-cyclohexyl-4-quinolin-6-ylbenzimidazole-5-carboxylic acid
CID 140534123
1-cyclohexyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzimidazole-5-carboxylic acid
CID 68925913

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid (CID 140534147) is 1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(nc(-c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)n2C2CCCCC2)c1-c1ccc2nccnc2c1.
What is the InChIKey of 1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid?
The InChIKey is WZTZIGZGQPKHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N6O2/c49-42(50)31-18-21-36-40(37(31)28-16-19-32-34(24-28)44-23-22-43-32)47-41(48(36)30-14-8-3-9-15-30)29-17-20-33-35(25-29)46-39(27-12-6-2-7-13-27)38(45-33)26-10-4-1-5-11-26/h1-2,4-7,10-13,16-25,30H,3,8-9,14-15H2,(H,49,50).
What are the key properties of 1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid?
1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid has a molecular weight of 652.76 g/mol, XLogP of 9.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,3-diphenylquinoxalin-6-yl)-4-quinoxalin-6-ylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 140534147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).