N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide

C26H26N4O2 — CID 139447854

IUPACN-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3nc4ccccc4n3C3CCC(O)CC3)ccn2)c1
InChIInChI=1S/C26H26N4O2/c1-17-5-4-6-18(15-17)23-16-19(13-14-27-23)25(32)29-26-28-22-7-2-3-8-24(22)30(26)20-9-11-21(31)12-10-20/h2-8,13-16,20-21,31H,9-12H2,1H3,(H,28,29,32)
InChIKeyGPKVLATXQYKKRW-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.14
Rot. Bonds4

About N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide

N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide (PubChem CID 139447854) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide
PubChem CID139447854
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3nc4ccccc4n3C3CCC(O)CC3)ccn2)c1
InChIInChI=1S/C26H26N4O2/c1-17-5-4-6-18(15-17)23-16-19(13-14-27-23)25(32)29-26-28-22-7-2-3-8-24(22)30(26)20-9-11-21(31)12-10-20/h2-8,13-16,20-21,31H,9-12H2,1H3,(H,28,29,32)
InChIKeyGPKVLATXQYKKRW-UHFFFAOYSA-N
XLogP5.14
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-hydroxycyclohexyl)-5-methylbenzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447595
N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide
CID 139448027
N-(1-cyclopentylbenzimidazol-2-yl)-2-methylpyridine-4-carboxamide
CID 136538090
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
N-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155348736
N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 52655657
4-(aminomethyl)-N-(1-cyclopentylbenzimidazol-2-yl)benzamide;hydrochloride
CID 119332720
N-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 166926939
1-cyclopropyl-N-methylbenzimidazol-2-amine
CID 21043921
2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 91011243
N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447834
4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 155950252

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide (CID 139447854) is N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide is Cc1cccc(-c2cc(C(=O)Nc3nc4ccccc4n3C3CCC(O)CC3)ccn2)c1.
What is the InChIKey of N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide?
The InChIKey is GPKVLATXQYKKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-17-5-4-6-18(15-17)23-16-19(13-14-27-23)25(32)29-26-28-22-7-2-3-8-24(22)30(26)20-9-11-21(31)12-10-20/h2-8,13-16,20-21,31H,9-12H2,1H3,(H,28,29,32).
What are the key properties of N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide?
N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 139447854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).