N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide

C26H32N4O2 — CID 142813027

IUPACN-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide
SMILESCCCCCC(=O)Nc1ccc(-c2nc3ccc(NC(=O)C4CCCC4C)cc3[nH]2)cc1
InChIInChI=1S/C26H32N4O2/c1-3-4-5-9-24(31)27-19-12-10-18(11-13-19)25-29-22-15-14-20(16-23(22)30-25)28-26(32)21-8-6-7-17(21)2/h10-17,21H,3-9H2,1-2H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyUFUWXHSOOLVSOZ-UHFFFAOYSA-N
MW432.57 g/mol
LogP6.12
Rot. Bonds8

About N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide

N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide (PubChem CID 142813027) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide
PubChem CID142813027
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide
SMILESCCCCCC(=O)Nc1ccc(-c2nc3ccc(NC(=O)C4CCCC4C)cc3[nH]2)cc1
InChIInChI=1S/C26H32N4O2/c1-3-4-5-9-24(31)27-19-12-10-18(11-13-19)25-29-22-15-14-20(16-23(22)30-25)28-26(32)21-8-6-7-17(21)2/h10-17,21H,3-9H2,1-2H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyUFUWXHSOOLVSOZ-UHFFFAOYSA-N
XLogP6.12
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 56.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[6-(methylamino)-1H-benzimidazol-2-yl]phenyl]hexanamide
CID 142813057
4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
CID 10183841
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453
2-(2,2,2-trifluoroacetyl)-N-[4-[6-[[2-(2,2,2-trifluoroacetyl)cyclopentanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]cyclopentane-1-carboxamide
CID 18718200
4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694879
N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide
CID 142169462
4-[6-[(2-ethylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
CID 71172829
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10161461
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 10179766
2-[4-(cyclopentanecarbonylamino)phenyl]-N-heptan-2-yl-3H-benzimidazole-5-carboxamide
CID 71169861
N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10228230

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide (CID 142813027) is N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide is CCCCCC(=O)Nc1ccc(-c2nc3ccc(NC(=O)C4CCCC4C)cc3[nH]2)cc1.
What is the InChIKey of N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is UFUWXHSOOLVSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-3-4-5-9-24(31)27-19-12-10-18(11-13-19)25-29-22-15-14-20(16-23(22)30-25)28-26(32)21-8-6-7-17(21)2/h10-17,21H,3-9H2,1-2H3,(H,27,31)(H,28,32)(H,29,30).
What are the key properties of N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide?
N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 6.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 142813027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).