N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide

C29H28N4O2 — CID 20740126

IUPACN-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C29H28N4O2/c34-28(30-21-8-4-5-9-21)20-12-15-25-26(16-20)33-27(32-25)19-10-13-22(14-11-19)31-29(35)24-17-23(24)18-6-2-1-3-7-18/h1-3,6-7,10-16,21,23-24H,4-5,8-9,17H2,(H,30,34)(H,31,35)(H,32,33)
InChIKeyMHKZPTMNHQRKNR-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.64
Rot. Bonds6

About N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide

N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 20740126) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID20740126
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC NameN-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C29H28N4O2/c34-28(30-21-8-4-5-9-21)20-12-15-25-26(16-20)33-27(32-25)19-10-13-22(14-11-19)31-29(35)24-17-23(24)18-6-2-1-3-7-18/h1-3,6-7,10-16,21,23-24H,4-5,8-9,17H2,(H,30,34)(H,31,35)(H,32,33)
InChIKeyMHKZPTMNHQRKNR-UHFFFAOYSA-N
XLogP5.64
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694983
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 10163584
N-cyclopentyl-2-[4-[[2-(fluoromethyl)cyclohexanecarbonyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 71169804
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 10179766
N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10228230
N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10276939
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
N-cyclooctyl-2-[4-[[4-(methoxyamino)benzoyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 142169238
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
3-chloro-5-methyl-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694849
4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
CID 10183841

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide (CID 20740126) is N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide is O=C(NC1CCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CC4c4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is MHKZPTMNHQRKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2/c34-28(30-21-8-4-5-9-21)20-12-15-25-26(16-20)33-27(32-25)19-10-13-22(14-11-19)31-29(35)24-17-23(24)18-6-2-1-3-7-18/h1-3,6-7,10-16,21,23-24H,4-5,8-9,17H2,(H,30,34)(H,31,35)(H,32,33).
What are the key properties of N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide?
N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 5.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 20740126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).