1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid

C26H26N4O3 — CID 142073820

IUPAC1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(C(=O)NC3=CC=CNC3)c1)n2C1CCCCC1
InChIInChI=1S/C26H26N4O3/c31-25(28-20-8-5-13-27-16-20)18-7-4-6-17(14-18)24-29-22-15-19(26(32)33)11-12-23(22)30(24)21-9-2-1-3-10-21/h4-8,11-15,21,27H,1-3,9-10,16H2,(H,28,31)(H,32,33)
InChIKeyWFVZGSIVZWIXIZ-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.64
Rot. Bonds5

About 1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid

1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid (PubChem CID 142073820) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
PubChem CID142073820
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(C(=O)NC3=CC=CNC3)c1)n2C1CCCCC1
InChIInChI=1S/C26H26N4O3/c31-25(28-20-8-5-13-27-16-20)18-7-4-6-17(14-18)24-29-22-15-19(26(32)33)11-12-23(22)30(24)21-9-2-1-3-10-21/h4-8,11-15,21,27H,1-3,9-10,16H2,(H,28,31)(H,32,33)
InChIKeyWFVZGSIVZWIXIZ-UHFFFAOYSA-N
XLogP4.64
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-2-[3-[[3-[(3,5-dichlorobenzoyl)amino]phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515501
2-[3-(benzhydrylcarbamoyl)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 23515900
2-[3-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 23515901
2-[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 23515533
1-cyclopentyl-2-(3-hydroxyphenyl)benzimidazole-5-carboxylic acid
CID 23515705
1-cyclopentyl-2-(3-fluorophenyl)benzimidazole-5-carboxylic acid
CID 23515701
2-[3-[(4-butoxyphenyl)carbamoyl]phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23515886
1-cyclopentyl-2-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
CID 23515648
1-cyclohexyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzimidazole-5-carboxylic acid
CID 68925913
1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid
CID 71216208
1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515819
1-cyclohexyl-2-[3-[[(3,4-dichlorophenyl)methylamino]methyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515504

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid (CID 142073820) is 1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1cccc(C(=O)NC3=CC=CNC3)c1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid?
The InChIKey is WFVZGSIVZWIXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c31-25(28-20-8-5-13-27-16-20)18-7-4-6-17(14-18)24-29-22-15-19(26(32)33)11-12-23(22)30(24)21-9-2-1-3-10-21/h4-8,11-15,21,27H,1-3,9-10,16H2,(H,28,31)(H,32,33).
What are the key properties of 1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid?
1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid has a molecular weight of 442.52 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[3-(1,2-dihydropyridin-3-ylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 142073820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).