N-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride

C24H31ClN4O — CID 90665393

IUPACN-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride
SMILESCCCCCc1ccc(C(=O)Nc2ccc3c(c2)nc(N)n3C2CCCC2)cc1.Cl
InChIInChI=1S/C24H30N4O.ClH/c1-2-3-4-7-17-10-12-18(13-11-17)23(29)26-19-14-15-22-21(16-19)27-24(25)28(22)20-8-5-6-9-20;/h10-16,20H,2-9H2,1H3,(H2,25,27)(H,26,29);1H
InChIKeyUZDHXWHJYLYJGF-UHFFFAOYSA-N
MW426.99 g/mol
LogP6.14
Rot. Bonds7

About N-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride

N-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride (PubChem CID 90665393) has the molecular formula C24H31ClN4O and a molecular weight of 426.99 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride
PubChem CID90665393
Molecular FormulaC24H31ClN4O
Molecular Weight426.99 g/mol
Exact Mass426.22
IUPAC NameN-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride
SMILESCCCCCc1ccc(C(=O)Nc2ccc3c(c2)nc(N)n3C2CCCC2)cc1.Cl
InChIInChI=1S/C24H30N4O.ClH/c1-2-3-4-7-17-10-12-18(13-11-17)23(29)26-19-14-15-22-21(16-19)27-24(25)28(22)20-8-5-6-9-20;/h10-16,20H,2-9H2,1H3,(H2,25,27)(H,26,29);1H
InChIKeyUZDHXWHJYLYJGF-UHFFFAOYSA-N
XLogP6.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.99
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride
CID 139559947
N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide
CID 139561630
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
4-(aminomethyl)-N-(1-cyclopentylbenzimidazol-2-yl)benzamide;hydrochloride
CID 119332720
1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515819
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride
CID 139561212
2-[3-[(4-butoxyphenyl)carbamoyl]phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23515886
N-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-3-chlorophenyl]-4-hexylbenzamide
CID 58708035
(1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine
CID 65037611
1-cyclohexylbenzimidazole-2,5-diamine
CID 84793894
N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775922

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride (CID 90665393) is N-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride is CCCCCc1ccc(C(=O)Nc2ccc3c(c2)nc(N)n3C2CCCC2)cc1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride?
The InChIKey is UZDHXWHJYLYJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O.ClH/c1-2-3-4-7-17-10-12-18(13-11-17)23(29)26-19-14-15-22-21(16-19)27-24(25)28(22)20-8-5-6-9-20;/h10-16,20H,2-9H2,1H3,(H2,25,27)(H,26,29);1H.
What are the key properties of N-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride?
N-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride has a molecular weight of 426.99 g/mol, XLogP of 6.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride is sourced from PubChem (CID 90665393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).