2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine

C14H18ClN3 — CID 82558058

IUPAC2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine
SMILESCNCCn1ccnc1CCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-16-8-10-18-11-9-17-14(18)7-4-12-2-5-13(15)6-3-12/h2-3,5-6,9,11,16H,4,7-8,10H2,1H3
InChIKeyWNTRSJXFNDGRRC-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.54
Rot. Bonds6

About 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine

2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine (PubChem CID 82558058) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine
PubChem CID82558058
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine
SMILESCNCCn1ccnc1CCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3/c1-16-8-10-18-11-9-17-14(18)7-4-12-2-5-13(15)6-3-12/h2-3,5-6,9,11,16H,4,7-8,10H2,1H3
InChIKeyWNTRSJXFNDGRRC-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 82558274
2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide
CID 82558055
2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine
CID 82557914
N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine
CID 82558552
2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064912
2-[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]ethanol
CID 82560023
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine
CID 82558268
2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 82561434
3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 57082680
1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752002
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
CID 2779195

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine?
The IUPAC name of 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine (CID 82558058) is 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine is CNCCn1ccnc1CCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine?
The InChIKey is WNTRSJXFNDGRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-16-8-10-18-11-9-17-14(18)7-4-12-2-5-13(15)6-3-12/h2-3,5-6,9,11,16H,4,7-8,10H2,1H3.
What are the key properties of 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine?
2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine has a molecular weight of 263.77 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine is sourced from PubChem (CID 82558058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).