2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine

C16H16ClN3 — CID 83976079

IUPAC2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H16ClN3/c17-13-7-5-11(6-8-13)9-12(10-18)16-19-14-3-1-2-4-15(14)20-16/h1-8,12H,9-10,18H2,(H,19,20)
InChIKeyQMCBJAOTNLSKNL-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.50
Rot. Bonds4

About 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine

2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine (PubChem CID 83976079) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine
PubChem CID83976079
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H16ClN3/c17-13-7-5-11(6-8-13)9-12(10-18)16-19-14-3-1-2-4-15(14)20-16/h1-8,12H,9-10,18H2,(H,19,20)
InChIKeyQMCBJAOTNLSKNL-UHFFFAOYSA-N
XLogP3.50
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole
CID 139651881
2-(1H-benzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976034
2-(1H-benzimidazol-2-yl)-3-(3-chloro-4-propan-2-yloxyphenyl)propan-1-amine
CID 83976052
2-(1H-benzimidazol-2-yl)-3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 112539106
2-[1-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)propan-2-yl]-1H-benzimidazole
CID 3095741
2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine
CID 65221447
1H-benzimidazol-2-yl-(4-chlorophenyl)methanol
CID 21125
2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole
CID 828176
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole
CID 709607
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-3-(4-chlorophenyl)propanoic acid
CID 940896
1-(1H-benzimidazol-2-yl)-2-(2,5-dichlorophenyl)ethanethiol
CID 17015142
1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine
CID 54300780

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine (CID 83976079) is 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine is NCC(Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine?
The InChIKey is QMCBJAOTNLSKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c17-13-7-5-11(6-8-13)9-12(10-18)16-19-14-3-1-2-4-15(14)20-16/h1-8,12H,9-10,18H2,(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine?
2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine has a molecular weight of 285.78 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)propan-1-amine is sourced from PubChem (CID 83976079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).