1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole

C12H13ClN2 — CID 115624826

IUPAC1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
SMILESCc1ncn(Cc2cccc(Cl)c2)c1C
InChIInChI=1S/C12H13ClN2/c1-9-10(2)15(8-14-9)7-11-4-3-5-12(13)6-11/h3-6,8H,7H2,1-2H3
InChIKeyUPMJCOUYKJUUFX-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.20
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole

1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole (PubChem CID 115624826) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
PubChem CID115624826
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
SMILESCc1ncn(Cc2cccc(Cl)c2)c1C
InChIInChI=1S/C12H13ClN2/c1-9-10(2)15(8-14-9)7-11-4-3-5-12(13)6-11/h3-6,8H,7H2,1-2H3
InChIKeyUPMJCOUYKJUUFX-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66339985
1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole
CID 14402688
[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine
CID 62350541
3-[(4,5-dimethylimidazol-1-yl)methyl]benzenecarbothioamide
CID 62351814
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine
CID 115648480
4-bromo-1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128432
4-[(4,5-dimethylimidazol-1-yl)methyl]phenol
CID 116621780
3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685652
5-chloro-2-[(4,5-dimethylimidazol-1-yl)methyl]aniline
CID 62352131
1-[(3-chlorophenyl)methyl]-3,4-dimethylpyrazole
CID 143458745
1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole
CID 107091792
1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole
CID 115641222

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole (CID 115624826) is 1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole is Cc1ncn(Cc2cccc(Cl)c2)c1C.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole?
The InChIKey is UPMJCOUYKJUUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-9-10(2)15(8-14-9)7-11-4-3-5-12(13)6-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole?
1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole has a molecular weight of 220.70 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole is sourced from PubChem (CID 115624826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).