[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine

C12H14ClN3 — CID 66149048

IUPAC[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine
SMILESCC(c1ccccc1Cl)n1cncc1CN
InChIInChI=1S/C12H14ClN3/c1-9(11-4-2-3-5-12(11)13)16-8-15-7-10(16)6-14/h2-5,7-9H,6,14H2,1H3
InChIKeyCBEZQUYPNGEHTN-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.60
Rot. Bonds3

About [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine

[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine (PubChem CID 66149048) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine
PubChem CID66149048
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine
SMILESCC(c1ccccc1Cl)n1cncc1CN
InChIInChI=1S/C12H14ClN3/c1-9(11-4-2-3-5-12(11)13)16-8-15-7-10(16)6-14/h2-5,7-9H,6,14H2,1H3
InChIKeyCBEZQUYPNGEHTN-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol
CID 66151440
[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine
CID 114705228
1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997890
(3-benzhydrylimidazol-4-yl)methanamine
CID 66146726
[3-(1-phenylpropyl)imidazol-4-yl]methanamine
CID 66151583
(1R)-1-(2-chlorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81377729
2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66151545
[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol
CID 125481305
5-[(2-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 66154438
N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine
CID 66148577
1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine
CID 83896907
3-[1-(2-chlorophenyl)ethyl]-1H-imidazol-2-one
CID 103125438

Frequently Asked Questions

What is the IUPAC name of [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine?
The IUPAC name of [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine (CID 66149048) is [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine?
The canonical SMILES for [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine is CC(c1ccccc1Cl)n1cncc1CN.
What is the InChIKey of [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine?
The InChIKey is CBEZQUYPNGEHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9(11-4-2-3-5-12(11)13)16-8-15-7-10(16)6-14/h2-5,7-9H,6,14H2,1H3.
What are the key properties of [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine?
[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine has a molecular weight of 235.72 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 66149048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).