2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole

C12H11ClN2O — CID 66771193

IUPAC2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole
SMILESC=C(c1ncc[nH]1)c1cc(OC)ccc1Cl
InChIInChI=1S/C12H11ClN2O/c1-8(12-14-5-6-15-12)10-7-9(16-2)3-4-11(10)13/h3-7H,1H2,2H3,(H,14,15)
InChIKeyLKWBOBYZHFGRAD-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.13
Rot. Bonds3

About 2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole

2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole (PubChem CID 66771193) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole
PubChem CID66771193
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole
SMILESC=C(c1ncc[nH]1)c1cc(OC)ccc1Cl
InChIInChI=1S/C12H11ClN2O/c1-8(12-14-5-6-15-12)10-7-9(16-2)3-4-11(10)13/h3-7H,1H2,2H3,(H,14,15)
InChIKeyLKWBOBYZHFGRAD-UHFFFAOYSA-N
XLogP3.13
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole 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

2-[1-(3-chloro-4-methylphenyl)ethenyl]-1H-imidazole
CID 66771333
(1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride
CID 88769229
1-(2-chloro-5-methoxyphenyl)prop-2-en-1-one
CID 130136741
1-chloro-4-methoxy-2-[(Z)-1-prop-1-en-2-yloxyprop-1-enyl]benzene
CID 145351618
2-[1-(3-methylphenyl)ethenyl]-1H-imidazole
CID 67081883
2-(2-bromo-5-methoxyphenyl)-1H-imidazole
CID 91367579
4-chloro-1-(2-chloro-5-methoxyphenyl)butan-1-one
CID 82050615
2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid
CID 117305828
2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole
CID 18921827
2-[2-(furan-3-yl)-5-methoxyphenyl]-1H-imidazole
CID 91520230
2-[2-(4-methoxyphenyl)phenyl]-1H-imidazole
CID 11736810
methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate
CID 174480736

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole?
The IUPAC name of 2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole (CID 66771193) is 2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole.
What is the SMILES notation for 2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole?
The canonical SMILES for 2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole is C=C(c1ncc[nH]1)c1cc(OC)ccc1Cl.
What is the InChIKey of 2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole?
The InChIKey is LKWBOBYZHFGRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8(12-14-5-6-15-12)10-7-9(16-2)3-4-11(10)13/h3-7H,1H2,2H3,(H,14,15).
What are the key properties of 2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole?
2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole has a molecular weight of 234.69 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-5-methoxyphenyl)ethenyl]-1H-imidazole is sourced from PubChem (CID 66771193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).