3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine

C12H14ClN3 — CID 82463546

IUPAC3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine
SMILESNCCCc1cnc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C12H14ClN3/c13-10-5-3-9(4-6-10)12-15-8-11(16-12)2-1-7-14/h3-6,8H,1-2,7,14H2,(H,15,16)
InChIKeyDBDARQVKYAVJSX-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.62
Rot. Bonds4

About 3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine

3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine (PubChem CID 82463546) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine
PubChem CID82463546
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine
SMILESNCCCc1cnc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C12H14ClN3/c13-10-5-3-9(4-6-10)12-15-8-11(16-12)2-1-7-14/h3-6,8H,1-2,7,14H2,(H,15,16)
InChIKeyDBDARQVKYAVJSX-UHFFFAOYSA-N
XLogP2.62
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethanamine;dihydrochloride
CID 131880085
3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine
CID 82463568
2-(4-chlorophenyl)-5-ethyl-1H-imidazole
CID 90782156
3-[2-(4-nitrophenyl)-1H-imidazol-5-yl]propan-1-amine
CID 82463622
3-(2-pyridin-3-yl-1H-imidazol-5-yl)propan-1-amine
CID 82463630
2-[2-(3-chlorophenyl)-1H-imidazol-5-yl]ethanamine
CID 14827778
[2-(4-fluorophenyl)-1H-imidazol-5-yl]methanamine
CID 63108865
2-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methylsulfanyl]ethanamine
CID 13011248
2-phenyl-5-undecyl-1H-imidazole
CID 154198104
2-[2-[3-(trichloromethyl)phenyl]-1H-imidazol-5-yl]ethanamine
CID 101372606
(E)-N-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 166721195
3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine
CID 170564796

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine?
The IUPAC name of 3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine (CID 82463546) is 3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine is NCCCc1cnc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine?
The InChIKey is DBDARQVKYAVJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-10-5-3-9(4-6-10)12-15-8-11(16-12)2-1-7-14/h3-6,8H,1-2,7,14H2,(H,15,16).
What are the key properties of 3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine?
3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine has a molecular weight of 235.72 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine is sourced from PubChem (CID 82463546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).