2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine

C16H16ClN3 — CID 82144800

IUPAC2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine
SMILESCC(CN)n1c(-c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C16H16ClN3/c1-11(10-18)20-15-8-3-2-7-14(15)19-16(20)12-5-4-6-13(17)9-12/h2-9,11H,10,18H2,1H3
InChIKeyRYYDDGNPWGQOHV-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.88
Rot. Bonds3

About 2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine

2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine (PubChem CID 82144800) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine
PubChem CID82144800
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine
SMILESCC(CN)n1c(-c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C16H16ClN3/c1-11(10-18)20-15-8-3-2-7-14(15)19-16(20)12-5-4-6-13(17)9-12/h2-9,11H,10,18H2,1H3
InChIKeyRYYDDGNPWGQOHV-UHFFFAOYSA-N
XLogP3.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82143864
3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144799
3-(1-propan-2-ylbenzimidazol-2-yl)aniline
CID 4605444
2-[3-(chloromethyl)phenyl]-1-propan-2-ylbenzimidazole
CID 43325834
2-[2-(3-chlorophenyl)benzimidazol-1-yl]ethanethioamide
CID 39151422
2-(3-chlorophenyl)-1-octylbenzimidazole
CID 17001958
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82149518
[2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713110
(2R)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol
CID 40512617
(2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol
CID 40512615
2-(6-phenyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
CID 82145670
2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142151

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine?
The IUPAC name of 2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine (CID 82144800) is 2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine?
The canonical SMILES for 2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine is CC(CN)n1c(-c2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of 2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine?
The InChIKey is RYYDDGNPWGQOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-11(10-18)20-15-8-3-2-7-14(15)19-16(20)12-5-4-6-13(17)9-12/h2-9,11H,10,18H2,1H3.
What are the key properties of 2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine?
2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine has a molecular weight of 285.78 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine is sourced from PubChem (CID 82144800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).