2-(2-chloro-6-methylphenyl)-1-methylimidazole

C11H11ClN2 — CID 90892934

IUPAC2-(2-chloro-6-methylphenyl)-1-methylimidazole
SMILESCc1cccc(Cl)c1-c1nccn1C
InChIInChI=1S/C11H11ClN2/c1-8-4-3-5-9(12)10(8)11-13-6-7-14(11)2/h3-7H,1-2H3
InChIKeyRYUICEFXLDBJMF-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.05
Rot. Bonds1

About 2-(2-chloro-6-methylphenyl)-1-methylimidazole

2-(2-chloro-6-methylphenyl)-1-methylimidazole (PubChem CID 90892934) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 2-(2-chloro-6-methylphenyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(2-chloro-6-methylphenyl)-1-methylimidazole
PubChem CID90892934
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name2-(2-chloro-6-methylphenyl)-1-methylimidazole
SMILESCc1cccc(Cl)c1-c1nccn1C
InChIInChI=1S/C11H11ClN2/c1-8-4-3-5-9(12)10(8)11-13-6-7-14(11)2/h3-7H,1-2H3
InChIKeyRYUICEFXLDBJMF-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylphenyl)-1-methylimidazole?
The IUPAC name of 2-(2-chloro-6-methylphenyl)-1-methylimidazole (CID 90892934) is 2-(2-chloro-6-methylphenyl)-1-methylimidazole.
What is the SMILES notation for 2-(2-chloro-6-methylphenyl)-1-methylimidazole?
The canonical SMILES for 2-(2-chloro-6-methylphenyl)-1-methylimidazole is Cc1cccc(Cl)c1-c1nccn1C.
What is the InChIKey of 2-(2-chloro-6-methylphenyl)-1-methylimidazole?
The InChIKey is RYUICEFXLDBJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-8-4-3-5-9(12)10(8)11-13-6-7-14(11)2/h3-7H,1-2H3.
What are the key properties of 2-(2-chloro-6-methylphenyl)-1-methylimidazole?
2-(2-chloro-6-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-(2-chloro-6-methylphenyl)-1-methylimidazole is sourced from PubChem (CID 90892934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).