N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride

C20H26Cl2N4O — CID 120652968

IUPACN-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1.Cl.Cl
InChIInChI=1S/C20H24N4O.2ClH/c1-4-21-14(2)13-22-20(25)16-10-11-19-18(12-16)23-15(3)24(19)17-8-6-5-7-9-17;;/h5-12,14,21H,4,13H2,1-3H3,(H,22,25);2*1H/t14-;;/m1../s1
InChIKeyZBSMUYRZILMTQT-FMOMHUKBSA-N
MW409.36 g/mol
LogP3.91
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride (PubChem CID 120652968) has the molecular formula C20H26Cl2N4O and a molecular weight of 409.36 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
PubChem CID120652968
Molecular FormulaC20H26Cl2N4O
Molecular Weight409.36 g/mol
Exact Mass408.15
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1.Cl.Cl
InChIInChI=1S/C20H24N4O.2ClH/c1-4-21-14(2)13-22-20(25)16-10-11-19-18(12-16)23-15(3)24(19)17-8-6-5-7-9-17;;/h5-12,14,21H,4,13H2,1-3H3,(H,22,25);2*1H/t14-;;/m1../s1
InChIKeyZBSMUYRZILMTQT-FMOMHUKBSA-N
XLogP3.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
CID 46981643
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CID 120948721
N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 3655846
N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
CID 119615452
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride
CID 120654134
2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46653202
ethyl 3-hydroxy-2-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]propanoate
CID 136519748
2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide
CID 46541611
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 27362425
2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
CID 119452060
N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride (CID 120652968) is N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride is CCN[C@H](C)CNC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1.Cl.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride?
The InChIKey is ZBSMUYRZILMTQT-FMOMHUKBSA-N. The full InChI is InChI=1S/C20H24N4O.2ClH/c1-4-21-14(2)13-22-20(25)16-10-11-19-18(12-16)23-15(3)24(19)17-8-6-5-7-9-17;;/h5-12,14,21H,4,13H2,1-3H3,(H,22,25);2*1H/t14-;;/m1../s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride has a molecular weight of 409.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120652968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).