2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole

C12H13ClN2O — CID 116878237

IUPAC2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole
SMILESCOc1ccccc1-c1cnc(CCCl)[nH]1
InChIInChI=1S/C12H13ClN2O/c1-16-11-5-3-2-4-9(11)10-8-14-12(15-10)6-7-13/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyXGHVTSDRGPZKAV-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.87
Rot. Bonds4

About 2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole

2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole (PubChem CID 116878237) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole
PubChem CID116878237
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole
SMILESCOc1ccccc1-c1cnc(CCCl)[nH]1
InChIInChI=1S/C12H13ClN2O/c1-16-11-5-3-2-4-9(11)10-8-14-12(15-10)6-7-13/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyXGHVTSDRGPZKAV-UHFFFAOYSA-N
XLogP2.87
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-(2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 43649243
2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole
CID 116878196
N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 60850115
4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878678
3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878905
tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 71279113
3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60842087
2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole
CID 116878216
3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]pyridine
CID 99963134
2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650904
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650913
2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95467419

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole?
The IUPAC name of 2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole (CID 116878237) is 2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole is COc1ccccc1-c1cnc(CCCl)[nH]1.
What is the InChIKey of 2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole?
The InChIKey is XGHVTSDRGPZKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-16-11-5-3-2-4-9(11)10-8-14-12(15-10)6-7-13/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole?
2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole has a molecular weight of 236.70 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole is sourced from PubChem (CID 116878237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).