1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine

C13H16ClN3 — CID 62761568

IUPAC1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine
SMILESCC(Cc1ccccc1Cl)NCc1cnc[nH]1
InChIInChI=1S/C13H16ClN3/c1-10(16-8-12-7-15-9-17-12)6-11-4-2-3-5-13(11)14/h2-5,7,9-10,16H,6,8H2,1H3,(H,15,17)
InChIKeyDEFTVLWMCGUHPR-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.78
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine

1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine (PubChem CID 62761568) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine
PubChem CID62761568
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine
SMILESCC(Cc1ccccc1Cl)NCc1cnc[nH]1
InChIInChI=1S/C13H16ClN3/c1-10(16-8-12-7-15-9-17-12)6-11-4-2-3-5-13(11)14/h2-5,7,9-10,16H,6,8H2,1H3,(H,15,17)
InChIKeyDEFTVLWMCGUHPR-UHFFFAOYSA-N
XLogP2.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride
CID 115607686
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
CID 63714042
1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66135228
1-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43677530
N-(1H-imidazol-5-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115639983
N-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine
CID 104655741
1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
CID 43677533
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 60780252
1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62761205
(1R)-1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81366280
N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide
CID 46990687

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine (CID 62761568) is 1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine is CC(Cc1ccccc1Cl)NCc1cnc[nH]1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine?
The InChIKey is DEFTVLWMCGUHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-10(16-8-12-7-15-9-17-12)6-11-4-2-3-5-13(11)14/h2-5,7,9-10,16H,6,8H2,1H3,(H,15,17).
What are the key properties of 1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine?
1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine has a molecular weight of 249.75 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 62761568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).