N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]-3,4-dichlorobenzamide;hydrochloride

C23H21Cl3N4O — CID 139559922

IUPACN-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]-3,4-dichlorobenzamide;hydrochloride
SMILESCl.Nc1nc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2n1CCCc1ccccc1
InChIInChI=1S/C23H20Cl2N4O.ClH/c24-18-10-8-16(13-19(18)25)22(30)27-17-9-11-21-20(14-17)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
InChIKeyOLYREGLSYDWFGG-UHFFFAOYSA-N
MW475.81 g/mol
LogP6.23
Rot. Bonds6

About N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]-3,4-dichlorobenzamide;hydrochloride

N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]-3,4-dichlorobenzamide;hydrochloride (PubChem CID 139559922) has the molecular formula C23H21Cl3N4O and a molecular weight of 475.81 g/mol. Its IUPAC name is N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]-3,4-dichlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]-3,4-dichlorobenzamide;hydrochloride
PubChem CID139559922
Molecular FormulaC23H21Cl3N4O
Molecular Weight475.81 g/mol
Exact Mass474.08
IUPAC NameN-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]-3,4-dichlorobenzamide;hydrochloride
SMILESCl.Nc1nc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2n1CCCc1ccccc1
InChIInChI=1S/C23H20Cl2N4O.ClH/c24-18-10-8-16(13-19(18)25)22(30)27-17-9-11-21-20(14-17)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
InChIKeyOLYREGLSYDWFGG-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-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide
CID 25110759
N-[2-benzamido-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-N-methylbenzamide
CID 25190503
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-phenylbenzamide
CID 25190507
1-(3,4-Dichlorobenzyl)-2-Methyl-N-[(1r)-1-Phenylpropyl]-1h-Benzimidazole-5-Carboxamide
CID 44132499
4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide
CID 1121185
4-chloro-N-(1-methylbenzimidazol-5-yl)benzamide
CID 948801
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-phenylbenzamide
CID 25190506
N-(1-tert-butylbenzimidazol-5-yl)benzamide
CID 711834
N-(1,2-dimethyl-1H-benzimidazol-5-yl)-3-methylbenzamide
CID 842447
N-(1-tert-butylbenzimidazol-5-yl)-4-chlorobenzamide
CID 948892
4-chloro-N-(1,2-dimethyl-5-benzimidazolyl)benzamide
CID 949216
N-(1-ethyl-1H-benzimidazol-5-yl)-4-methylbenzamide
CID 975960

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]-3,4-dichlorobenzamide;hydrochloride?
The IUPAC name of N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]-3,4-dichlorobenzamide;hydrochloride (CID 139559922) is N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]-3,4-dichlorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]-3,4-dichlorobenzamide;hydrochloride?
The canonical SMILES for N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]-3,4-dichlorobenzamide;hydrochloride is Cl.Nc1nc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2n1CCCc1ccccc1.
What is the InChIKey of N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]-3,4-dichlorobenzamide;hydrochloride?
The InChIKey is OLYREGLSYDWFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O.ClH/c24-18-10-8-16(13-19(18)25)22(30)27-17-9-11-21-20(14-17)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 N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]-3,4-dichlorobenzamide;hydrochloride?
N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]-3,4-dichlorobenzamide;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 N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]-3,4-dichlorobenzamide;hydrochloride is sourced from PubChem (CID 139559922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).