2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide

C30H29N5O2 — CID 11488738

IUPAC2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1
InChIInChI=1S/C30H29N5O2/c36-28(34-26-3-1-2-10-31-26)23-8-9-24-25(14-23)33-27(32-24)21-4-6-22(7-5-21)29(37)35-30-15-18-11-19(16-30)13-20(12-18)17-30/h1-10,14,18-20H,11-13,15-17H2,(H,32,33)(H,35,37)(H,31,34,36)
InChIKeyCNPORFDJAYYWPB-UHFFFAOYSA-N
MW491.60 g/mol
LogP5.58
Rot. Bonds5

About 2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide

2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 11488738) has the molecular formula C30H29N5O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is 2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID11488738
Molecular FormulaC30H29N5O2
Molecular Weight491.60 g/mol
Exact Mass491.23
IUPAC Name2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1
InChIInChI=1S/C30H29N5O2/c36-28(34-26-3-1-2-10-31-26)23-8-9-24-25(14-23)33-27(32-24)21-4-6-22(7-5-21)29(37)35-30-15-18-11-19(16-30)13-20(12-18)17-30/h1-10,14,18-20H,11-13,15-17H2,(H,32,33)(H,35,37)(H,31,34,36)
InChIKeyCNPORFDJAYYWPB-UHFFFAOYSA-N
XLogP5.58
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.60
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)-N-(1-adamantyl)-3H-benzimidazole-5-carboxamide
CID 11304932
2-[4-[(4-hydroxyadamantane-1-carbonyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
CID 11202955
N-[2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
CID 11318815
2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
CID 161005892
N-(1-adamantyl)-2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-adamantyl)-2-[4-(2-adamantylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(2-adamantylcarbamoyl)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclobutyl-2-[4-(cyclobutylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 159507851
N-[2-[4-(1-adamantylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.2]octane-2-carboxamide
CID 58953867
N-(1-adamantyl)-4-[6-[(4-methylidenecyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide
CID 142169310
[1-methyl-4-[[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]cyclohexyl] acetate
CID 11295210
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]adamantane-1-carboxamide
CID 10163454
N-cyclohexyl-2-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-oxo-1-adamantyl)carbamoyl]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;N-pyridin-3-yl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 159663267
N-(2-adamantyl)-2-(4-benzamidophenyl)-3H-benzimidazole-5-carboxamide
CID 20740044
2-[2-fluoro-4-[(3-hydroxyadamantane-1-carbonyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
CID 11318449

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide (CID 11488738) is 2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide is O=C(Nc1ccccn1)c1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is CNPORFDJAYYWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O2/c36-28(34-26-3-1-2-10-31-26)23-8-9-24-25(14-23)33-27(32-24)21-4-6-22(7-5-21)29(37)35-30-15-18-11-19(16-30)13-20(12-18)17-30/h1-10,14,18-20H,11-13,15-17H2,(H,32,33)(H,35,37)(H,31,34,36).
What are the key properties of 2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide?
2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 491.60 g/mol, XLogP of 5.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11488738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).