N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide

C30H36N4O2 — CID 71169778

IUPACN-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
SMILESO=C(NC1CCC2CCC2C1)c1ccc(-c2nc3ccc(NC(=O)C4CCCCCC4)cc3[nH]2)cc1
InChIInChI=1S/C30H36N4O2/c35-29(21-5-3-1-2-4-6-21)32-25-15-16-26-27(18-25)34-28(33-26)20-8-10-22(11-9-20)30(36)31-24-14-13-19-7-12-23(19)17-24/h8-11,15-16,18-19,21,23-24H,1-7,12-14,17H2,(H,31,36)(H,32,35)(H,33,34)
InChIKeyOWKPGTUCDYLWAA-UHFFFAOYSA-N
MW484.64 g/mol
LogP6.45
Rot. Bonds5

About N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide

N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide (PubChem CID 71169778) has the molecular formula C30H36N4O2 and a molecular weight of 484.64 g/mol. Its IUPAC name is N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
PubChem CID71169778
Molecular FormulaC30H36N4O2
Molecular Weight484.64 g/mol
Exact Mass484.28
IUPAC NameN-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
SMILESO=C(NC1CCC2CCC2C1)c1ccc(-c2nc3ccc(NC(=O)C4CCCCCC4)cc3[nH]2)cc1
InChIInChI=1S/C30H36N4O2/c35-29(21-5-3-1-2-4-6-21)32-25-15-16-26-27(18-25)34-28(33-26)20-8-10-22(11-9-20)30(36)31-24-14-13-19-7-12-23(19)17-24/h8-11,15-16,18-19,21,23-24H,1-7,12-14,17H2,(H,31,36)(H,32,35)(H,33,34)
InChIKeyOWKPGTUCDYLWAA-UHFFFAOYSA-N
XLogP6.45
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 56.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
N-(2-bicyclo[2.2.1]heptanyl)-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 20740008
N-[2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10276939
[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium
CID 142812894
4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclopentylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-methylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide;N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-(methylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-[2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
CID 158726481
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10161461
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
CID 10183841
N-(4-chlorophenyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740072
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
N-(3-bicyclo[4.2.0]octanyl)-4-[6-(2-ethylhexanoylamino)-1H-benzimidazol-2-yl]benzamide
CID 71169807
4-[6-[(2-ethylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
CID 71172829

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide?
The IUPAC name of N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide (CID 71169778) is N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide.
What is the SMILES notation for N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide?
The canonical SMILES for N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide is O=C(NC1CCC2CCC2C1)c1ccc(-c2nc3ccc(NC(=O)C4CCCCCC4)cc3[nH]2)cc1.
What is the InChIKey of N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide?
The InChIKey is OWKPGTUCDYLWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O2/c35-29(21-5-3-1-2-4-6-21)32-25-15-16-26-27(18-25)34-28(33-26)20-8-10-22(11-9-20)30(36)31-24-14-13-19-7-12-23(19)17-24/h8-11,15-16,18-19,21,23-24H,1-7,12-14,17H2,(H,31,36)(H,32,35)(H,33,34).
What are the key properties of N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide?
N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide has a molecular weight of 484.64 g/mol, XLogP of 6.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide is sourced from PubChem (CID 71169778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).