1-(4-chloro-2-ethylphenyl)-4-methylimidazole

C12H13ClN2 — CID 146396670

IUPAC1-(4-chloro-2-ethylphenyl)-4-methylimidazole
SMILESCCc1cc(Cl)ccc1-n1cnc(C)c1
InChIInChI=1S/C12H13ClN2/c1-3-10-6-11(13)4-5-12(10)15-7-9(2)14-8-15/h4-8H,3H2,1-2H3
InChIKeyWOODFSRWEDZGAQ-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.40
Rot. Bonds2

About 1-(4-chloro-2-ethylphenyl)-4-methylimidazole

1-(4-chloro-2-ethylphenyl)-4-methylimidazole (PubChem CID 146396670) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-(4-chloro-2-ethylphenyl)-4-methylimidazole.

Molecular Properties

Compound Name1-(4-chloro-2-ethylphenyl)-4-methylimidazole
PubChem CID146396670
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name1-(4-chloro-2-ethylphenyl)-4-methylimidazole
SMILESCCc1cc(Cl)ccc1-n1cnc(C)c1
InChIInChI=1S/C12H13ClN2/c1-3-10-6-11(13)4-5-12(10)15-7-9(2)14-8-15/h4-8H,3H2,1-2H3
InChIKeyWOODFSRWEDZGAQ-UHFFFAOYSA-N
XLogP3.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-2-methyl-3-(4-methylimidazol-1-yl)pyridine
CID 58105064
3,4-difluorobenzaldehyde;3-fluoro-4-(4-methylimidazol-1-yl)benzaldehyde
CID 160749152
3-ethoxy-4-(4-methylimidazol-1-yl)benzaldehyde
CID 73014041
1-[(2,4-dichlorophenyl)methyl]-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-dimethylurea
CID 69299846
[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methanol
CID 91758264
1-(3,4-dichlorophenyl)-2-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]ethanone
CID 148842493
2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine
CID 161459860
[2-(4-methylimidazol-1-yl)-5-(2-methylpropyl)phenyl]methanol
CID 58217761
5-methyl-2-(4-methylimidazol-1-yl)phenol
CID 143857824
4-tert-butyl-N-[4-chloro-2-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 90309898
(2E,8aS)-2-[[3-ethyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,5,6,7,8,8a-hexahydroindolizin-3-one
CID 143467381
1-(4-chloro-2-ethylphenyl)triazole-4-carbonitrile
CID 134535025

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-ethylphenyl)-4-methylimidazole?
The IUPAC name of 1-(4-chloro-2-ethylphenyl)-4-methylimidazole (CID 146396670) is 1-(4-chloro-2-ethylphenyl)-4-methylimidazole.
What is the SMILES notation for 1-(4-chloro-2-ethylphenyl)-4-methylimidazole?
The canonical SMILES for 1-(4-chloro-2-ethylphenyl)-4-methylimidazole is CCc1cc(Cl)ccc1-n1cnc(C)c1.
What is the InChIKey of 1-(4-chloro-2-ethylphenyl)-4-methylimidazole?
The InChIKey is WOODFSRWEDZGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-3-10-6-11(13)4-5-12(10)15-7-9(2)14-8-15/h4-8H,3H2,1-2H3.
What are the key properties of 1-(4-chloro-2-ethylphenyl)-4-methylimidazole?
1-(4-chloro-2-ethylphenyl)-4-methylimidazole has a molecular weight of 220.70 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-ethylphenyl)-4-methylimidazole is sourced from PubChem (CID 146396670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).