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

C44H42N4O2 — CID 140534106

IUPAC1-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
SMILESO=C(O)c1c(-c2ccccc2)cc2c(nc(-c3ccc4c(c3)CCC(c3ccccc3)N4)n2C2CCCCC2)c1-c1ccc2c(c1)CCCN2
InChIInChI=1S/C44H42N4O2/c49-44(50)41-35(28-11-4-1-5-12-28)27-39-42(40(41)32-19-21-36-30(25-32)15-10-24-45-36)47-43(48(39)34-16-8-3-9-17-34)33-20-23-38-31(26-33)18-22-37(46-38)29-13-6-2-7-14-29/h1-2,4-7,11-14,19-21,23,25-27,34,37,45-46H,3,8-10,15-18,22,24H2,(H,49,50)
InChIKeyQJCKBJUBSIXUIP-UHFFFAOYSA-N
MW658.85 g/mol
LogP10.70
Rot. Bonds6

About 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

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 (PubChem CID 140534106) has the molecular formula C44H42N4O2 and a molecular weight of 658.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID140534106
Molecular FormulaC44H42N4O2
Molecular Weight658.85 g/mol
Exact Mass658.33
IUPAC Name1-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
SMILESO=C(O)c1c(-c2ccccc2)cc2c(nc(-c3ccc4c(c3)CCC(c3ccccc3)N4)n2C2CCCCC2)c1-c1ccc2c(c1)CCCN2
InChIInChI=1S/C44H42N4O2/c49-44(50)41-35(28-11-4-1-5-12-28)27-39-42(40(41)32-19-21-36-30(25-32)15-10-24-45-36)47-43(48(39)34-16-8-3-9-17-34)33-20-23-38-31(26-33)18-22-37(46-38)29-13-6-2-7-14-29/h1-2,4-7,11-14,19-21,23,25-27,34,37,45-46H,3,8-10,15-18,22,24H2,(H,49,50)
InChIKeyQJCKBJUBSIXUIP-UHFFFAOYSA-N
XLogP10.70
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.85
LogP ≤ 510.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

1-cyclohexyl-2-(2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)benzimidazole-5-carboxylic acid
CID 5275976
1-cyclohexyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzimidazole-5-carboxylic acid
CID 68925913
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
6-(5-carboxy-1-cyclohexylbenzimidazol-2-yl)-3-quinolin-6-ylquinoline-2-carboxylic acid
CID 140534262
6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 43142626
1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid
CID 23515705
1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 23515913
6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 63424137
1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
CID 23515701
1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 153153541
2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 135730670
1-cyclohexyl-2-[3-[(naphthalen-1-ylamino)methyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515478

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(O)c1c(-c2ccccc2)cc2c(nc(-c3ccc4c(c3)CCC(c3ccccc3)N4)n2C2CCCCC2)c1-c1ccc2c(c1)CCCN2.
What is the InChIKey of 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?
The InChIKey is QJCKBJUBSIXUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N4O2/c49-44(50)41-35(28-11-4-1-5-12-28)27-39-42(40(41)32-19-21-36-30(25-32)15-10-24-45-36)47-43(48(39)34-16-8-3-9-17-34)33-20-23-38-31(26-33)18-22-37(46-38)29-13-6-2-7-14-29/h1-2,4-7,11-14,19-21,23,25-27,34,37,45-46H,3,8-10,15-18,22,24H2,(H,49,50).
What are the key properties of 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?
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 has a molecular weight of 658.85 g/mol, XLogP of 10.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140534106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).