1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine

C12H14ClN3 — CID 83896907

IUPAC1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cncn1-c1ccccc1Cl
InChIInChI=1S/C12H14ClN3/c1-9(14)6-10-7-15-8-16(10)12-5-3-2-4-11(12)13/h2-5,7-9H,6,14H2,1H3
InChIKeyIMZDWKISVHNHMO-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.42
Rot. Bonds3

About 1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine

1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine (PubChem CID 83896907) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine
PubChem CID83896907
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cncn1-c1ccccc1Cl
InChIInChI=1S/C12H14ClN3/c1-9(14)6-10-7-15-8-16(10)12-5-3-2-4-11(12)13/h2-5,7-9H,6,14H2,1H3
InChIKeyIMZDWKISVHNHMO-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 114717018
1-[3-(2-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703387
N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446934
1-[1-(2-chlorophenyl)pyrazol-4-yl]propan-2-amine
CID 83896850
2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine
CID 103482103
[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine
CID 66149048
1-[3-(2-chlorophenyl)imidazol-4-yl]-1-phenylethanol
CID 142004083
[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine
CID 107608533
1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997890
(1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine
CID 104941597
[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]methanamine
CID 114702535
1-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]propan-2-amine
CID 105423702

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine (CID 83896907) is 1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine is CC(N)Cc1cncn1-c1ccccc1Cl.
What is the InChIKey of 1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine?
The InChIKey is IMZDWKISVHNHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9(14)6-10-7-15-8-16(10)12-5-3-2-4-11(12)13/h2-5,7-9H,6,14H2,1H3.
What are the key properties of 1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine?
1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine has a molecular weight of 235.72 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 83896907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).