2-(4-chloro-3-methylphenyl)-1-methylimidazole

C11H11ClN2 — CID 172691387

IUPAC2-(4-chloro-3-methylphenyl)-1-methylimidazole
SMILESCc1cc(-c2nccn2C)ccc1Cl
InChIInChI=1S/C11H11ClN2/c1-8-7-9(3-4-10(8)12)11-13-5-6-14(11)2/h3-7H,1-2H3
InChIKeyBSNDSZZORVWTDS-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.05
Rot. Bonds1

About 2-(4-chloro-3-methylphenyl)-1-methylimidazole

2-(4-chloro-3-methylphenyl)-1-methylimidazole (PubChem CID 172691387) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenyl)-1-methylimidazole
PubChem CID172691387
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name2-(4-chloro-3-methylphenyl)-1-methylimidazole
SMILESCc1cc(-c2nccn2C)ccc1Cl
InChIInChI=1S/C11H11ClN2/c1-8-7-9(3-4-10(8)12)11-13-5-6-14(11)2/h3-7H,1-2H3
InChIKeyBSNDSZZORVWTDS-UHFFFAOYSA-N
XLogP3.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
2-(3-chloro-4-methoxyphenyl)-1-methylimidazole
CID 146601290
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one
CID 134306065
2-(2-chloro-6-methylphenyl)-1-methylimidazole
CID 90892934
3-methyl-5-(1-methylimidazol-2-yl)pyridin-2-amine
CID 83171112
ethane;1-methyl-2-phenylimidazole
CID 142155183
2-(3-bromo-4-propoxyphenyl)-1-methylimidazole
CID 110538855
2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid
CID 136886155
[2-bromo-5-(1-methylimidazol-2-yl)phenyl]methanamine
CID 150091384
1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784448

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenyl)-1-methylimidazole?
The IUPAC name of 2-(4-chloro-3-methylphenyl)-1-methylimidazole (CID 172691387) is 2-(4-chloro-3-methylphenyl)-1-methylimidazole.
What is the SMILES notation for 2-(4-chloro-3-methylphenyl)-1-methylimidazole?
The canonical SMILES for 2-(4-chloro-3-methylphenyl)-1-methylimidazole is Cc1cc(-c2nccn2C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenyl)-1-methylimidazole?
The InChIKey is BSNDSZZORVWTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-8-7-9(3-4-10(8)12)11-13-5-6-14(11)2/h3-7H,1-2H3.
What are the key properties of 2-(4-chloro-3-methylphenyl)-1-methylimidazole?
2-(4-chloro-3-methylphenyl)-1-methylimidazole has a molecular weight of 206.68 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenyl)-1-methylimidazole is sourced from PubChem (CID 172691387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).