N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride

C21H27ClN4O — CID 139559947

IUPACN-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride
SMILESCCCCCc1ccc(C(=O)Nc2ccc3nc(N)n(CC)c3c2)cc1.Cl
InChIInChI=1S/C21H26N4O.ClH/c1-3-5-6-7-15-8-10-16(11-9-15)20(26)23-17-12-13-18-19(14-17)25(4-2)21(22)24-18;/h8-14H,3-7H2,1-2H3,(H2,22,24)(H,23,26);1H
InChIKeyPRFPUXWTPFHBMG-UHFFFAOYSA-N
MW386.93 g/mol
LogP5.05
Rot. Bonds7

About N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride

N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride (PubChem CID 139559947) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride
PubChem CID139559947
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC NameN-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride
SMILESCCCCCc1ccc(C(=O)Nc2ccc3nc(N)n(CC)c3c2)cc1.Cl
InChIInChI=1S/C21H26N4O.ClH/c1-3-5-6-7-15-8-10-16(11-9-15)20(26)23-17-12-13-18-19(14-17)25(4-2)21(22)24-18;/h8-14H,3-7H2,1-2H3,(H2,22,24)(H,23,26);1H
InChIKeyPRFPUXWTPFHBMG-UHFFFAOYSA-N
XLogP5.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.93
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-1-cyclopentylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride
CID 90665393
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-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride
CID 139559905
N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride
CID 139561212
N-(2-amino-3H-benzimidazol-5-yl)-4-(4-decyltriazol-1-yl)benzamide;hydrochloride
CID 54582789
5-[(4-hexylbenzoyl)amino]-2-methylbenzenesulfonic acid
CID 139946823
2-methyl-4-[(4-octylbenzoyl)amino]benzenesulfonic acid
CID 139945331
4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
CID 4548878
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide
CID 46890697
6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide
CID 60630583

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride (CID 139559947) is N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride is CCCCCc1ccc(C(=O)Nc2ccc3nc(N)n(CC)c3c2)cc1.Cl.
What is the InChIKey of N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride?
The InChIKey is PRFPUXWTPFHBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O.ClH/c1-3-5-6-7-15-8-10-16(11-9-15)20(26)23-17-12-13-18-19(14-17)25(4-2)21(22)24-18;/h8-14H,3-7H2,1-2H3,(H2,22,24)(H,23,26);1H.
What are the key properties of N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride?
N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride has a molecular weight of 386.93 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride is sourced from PubChem (CID 139559947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).