2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine

C12H14ClN3 — CID 62763703

IUPAC2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
SMILESClc1ccc(CCNCc2cnc[nH]2)cc1
InChIInChI=1S/C12H14ClN3/c13-11-3-1-10(2-4-11)5-6-14-7-12-8-15-9-16-12/h1-4,8-9,14H,5-7H2,(H,15,16)
InChIKeyYTORQBFWDPUOBT-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.40
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine

2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine (PubChem CID 62763703) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
PubChem CID62763703
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
SMILESClc1ccc(CCNCc2cnc[nH]2)cc1
InChIInChI=1S/C12H14ClN3/c13-11-3-1-10(2-4-11)5-6-14-7-12-8-15-9-16-12/h1-4,8-9,14H,5-7H2,(H,15,16)
InChIKeyYTORQBFWDPUOBT-UHFFFAOYSA-N
XLogP2.40
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.40
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-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride
CID 115607686
N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 62761782
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
1-(3-chloro-4-methylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 106816903
1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride
CID 115607264
3-(1H-imidazol-5-yl)propyl N-[2-(4-chlorophenyl)ethyl]carbamate
CID 73346048
3-fluoro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115733016
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684075
1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)butyl]methanesulfonamide
CID 11278861
2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 65230734
N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65230885

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine (CID 62763703) is 2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine is Clc1ccc(CCNCc2cnc[nH]2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The InChIKey is YTORQBFWDPUOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-11-3-1-10(2-4-11)5-6-14-7-12-8-15-9-16-12/h1-4,8-9,14H,5-7H2,(H,15,16).
What are the key properties of 2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 62763703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).