N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine

C13H15Cl2N3 — CID 60687993

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
SMILESCn1c(Cl)cnc1CNCCc1ccc(Cl)cc1
InChIInChI=1S/C13H15Cl2N3/c1-18-12(15)8-17-13(18)9-16-7-6-10-2-4-11(14)5-3-10/h2-5,8,16H,6-7,9H2,1H3
InChIKeyLUIIOKOOHKGMPT-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.06
Rot. Bonds5

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine (PubChem CID 60687993) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
PubChem CID60687993
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
SMILESCn1c(Cl)cnc1CNCCc1ccc(Cl)cc1
InChIInChI=1S/C13H15Cl2N3/c1-18-12(15)8-17-13(18)9-16-7-6-10-2-4-11(14)5-3-10/h2-5,8,16H,6-7,9H2,1H3
InChIKeyLUIIOKOOHKGMPT-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine 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

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62615069
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)ethanamine
CID 43401980
1-(3-chloro-4-fluorophenyl)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]methanamine
CID 62537628
N-[(5-chloro-1-methylimidazol-2-yl)methyl]butan-1-amine
CID 43088016
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332661
2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064912
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethoxyethanamine
CID 43591015
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(furan-3-yl)methanamine
CID 115607872
5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol
CID 106130407
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
CID 17206419
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethylbutan-1-amine
CID 115756655
5-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole
CID 86908683

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine (CID 60687993) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine is Cn1c(Cl)cnc1CNCCc1ccc(Cl)cc1.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine?
The InChIKey is LUIIOKOOHKGMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-18-12(15)8-17-13(18)9-16-7-6-10-2-4-11(14)5-3-10/h2-5,8,16H,6-7,9H2,1H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine has a molecular weight of 284.19 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 60687993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).