2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride

C12H15Cl2N3 — CID 115607686

IUPAC2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride
SMILESCl.Clc1ccccc1CCNCc1cnc[nH]1
InChIInChI=1S/C12H14ClN3.ClH/c13-12-4-2-1-3-10(12)5-6-14-7-11-8-15-9-16-11;/h1-4,8-9,14H,5-7H2,(H,15,16);1H
InChIKeyITQWIMZEPCOSHW-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.82
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride

2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride (PubChem CID 115607686) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride
PubChem CID115607686
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride
SMILESCl.Clc1ccccc1CCNCc1cnc[nH]1
InChIInChI=1S/C12H14ClN3.ClH/c13-12-4-2-1-3-10(12)5-6-14-7-11-8-15-9-16-11;/h1-4,8-9,14H,5-7H2,(H,15,16);1H
InChIKeyITQWIMZEPCOSHW-UHFFFAOYSA-N
XLogP2.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62763703
N-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)methanamine
CID 42778544
1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine
CID 62761568
2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
CID 70453735
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 115645178
N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 62761782
2-(1H-imidazol-5-yl)-N-(isoquinolin-4-ylmethyl)ethanamine
CID 104503928
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
2-(1H-imidazol-5-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 64988316
N-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 110684269
1-(3-chloro-4-methylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 106816903
N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine
CID 24840689

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride (CID 115607686) is 2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride is Cl.Clc1ccccc1CCNCc1cnc[nH]1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride?
The InChIKey is ITQWIMZEPCOSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3.ClH/c13-12-4-2-1-3-10(12)5-6-14-7-11-8-15-9-16-11;/h1-4,8-9,14H,5-7H2,(H,15,16);1H.
What are the key properties of 2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride?
2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride has a molecular weight of 272.18 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 115607686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).