2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride

C23H21Cl3N4O — CID 139559905

IUPAC2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride
SMILESCl.Nc1nc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1CCCc1ccccc1
InChIInChI=1S/C23H20Cl2N4O.ClH/c24-18-10-9-17(14-19(18)25)27-22(30)16-8-11-21-20(13-16)28-23(26)29(21)12-4-7-15-5-2-1-3-6-15;/h1-3,5-6,8-11,13-14H,4,7,12H2,(H2,26,28)(H,27,30);1H
InChIKeyXYXAIAITWLPFOH-UHFFFAOYSA-N
MW475.81 g/mol
LogP6.23
Rot. Bonds6

About 2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride

2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride (PubChem CID 139559905) has the molecular formula C23H21Cl3N4O and a molecular weight of 475.81 g/mol. Its IUPAC name is 2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride
PubChem CID139559905
Molecular FormulaC23H21Cl3N4O
Molecular Weight475.81 g/mol
Exact Mass474.08
IUPAC Name2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride
SMILESCl.Nc1nc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1CCCc1ccccc1
InChIInChI=1S/C23H20Cl2N4O.ClH/c24-18-10-9-17(14-19(18)25)27-22(30)16-8-11-21-20(13-16)28-23(26)29(21)12-4-7-15-5-2-1-3-6-15;/h1-3,5-6,8-11,13-14H,4,7,12H2,(H2,26,28)(H,27,30);1H
InChIKeyXYXAIAITWLPFOH-UHFFFAOYSA-N
XLogP6.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.81
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride
CID 139561212
1-butyl-2-(3,4-dichlorophenyl)-N-(3-phenylpropyl)benzimidazole-5-carboxamide
CID 16679329
3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328945
N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide
CID 139561630
N-(2-amino-3-ethylbenzimidazol-5-yl)-4-pentylbenzamide;hydrochloride
CID 139559947
N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
CID 4956327
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119394
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
2-amino-1-butylbenzimidazole-5-carboxylic acid
CID 91671806
N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide
CID 11382208
1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109054182

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride (CID 139559905) is 2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride is Cl.Nc1nc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1CCCc1ccccc1.
What is the InChIKey of 2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride?
The InChIKey is XYXAIAITWLPFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O.ClH/c24-18-10-9-17(14-19(18)25)27-22(30)16-8-11-21-20(13-16)28-23(26)29(21)12-4-7-15-5-2-1-3-6-15;/h1-3,5-6,8-11,13-14H,4,7,12H2,(H2,26,28)(H,27,30);1H.
What are the key properties of 2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride?
2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride has a molecular weight of 475.81 g/mol, XLogP of 6.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dichlorophenyl)-1-(3-phenylpropyl)benzimidazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 139559905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).