N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide

C28H34N4O2 — CID 142169240

IUPACN-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
SMILESO=C(NC1CCCCCCC1)c1ccc(-c2nc3ccc(NC(=O)C4CCCC4)cc3[nH]2)cc1
InChIInChI=1S/C28H34N4O2/c33-27(20-8-6-7-9-20)30-23-16-17-24-25(18-23)32-26(31-24)19-12-14-21(15-13-19)28(34)29-22-10-4-2-1-3-5-11-22/h12-18,20,22H,1-11H2,(H,29,34)(H,30,33)(H,31,32)
InChIKeyDWVUQXPAXSQVHN-UHFFFAOYSA-N
MW458.61 g/mol
LogP6.20
Rot. Bonds5

About N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide

N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide (PubChem CID 142169240) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
PubChem CID142169240
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
SMILESO=C(NC1CCCCCCC1)c1ccc(-c2nc3ccc(NC(=O)C4CCCC4)cc3[nH]2)cc1
InChIInChI=1S/C28H34N4O2/c33-27(20-8-6-7-9-20)30-23-16-17-24-25(18-23)32-26(31-24)19-12-14-21(15-13-19)28(34)29-22-10-4-2-1-3-5-11-22/h12-18,20,22H,1-11H2,(H,29,34)(H,30,33)(H,31,32)
InChIKeyDWVUQXPAXSQVHN-UHFFFAOYSA-N
XLogP6.20
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 56.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(3-bicyclo[4.2.0]octanylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 71169778
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
N-(2-bicyclo[2.2.1]heptanyl)-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 20740008
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
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
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-cyclooctyl-2-[4-[[4-(methoxyamino)benzoyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 142169238
N-(4-chlorophenyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740072
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]-3,4,5-trimethoxybenzamide
CID 20694954
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-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide?
The IUPAC name of N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide (CID 142169240) is N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide?
The canonical SMILES for N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide is O=C(NC1CCCCCCC1)c1ccc(-c2nc3ccc(NC(=O)C4CCCC4)cc3[nH]2)cc1.
What is the InChIKey of N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide?
The InChIKey is DWVUQXPAXSQVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c33-27(20-8-6-7-9-20)30-23-16-17-24-25(18-23)32-26(31-24)19-12-14-21(15-13-19)28(34)29-22-10-4-2-1-3-5-11-22/h12-18,20,22H,1-11H2,(H,29,34)(H,30,33)(H,31,32).
What are the key properties of N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide?
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide has a molecular weight of 458.61 g/mol, XLogP of 6.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide is sourced from PubChem (CID 142169240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).