2-(4-chloro-2-methylphenyl)-1,3-dimethyl-2H-imidazole

C12H15ClN2 — CID 57183415

IUPAC2-(4-chloro-2-methylphenyl)-1,3-dimethyl-2H-imidazole
SMILESCc1cc(Cl)ccc1C1N(C)C=CN1C
InChIInChI=1S/C12H15ClN2/c1-9-8-10(13)4-5-11(9)12-14(2)6-7-15(12)3/h4-8,12H,1-3H3
InChIKeyZQNNGDAJNQEYRX-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.00
Rot. Bonds1

About 2-(4-chloro-2-methylphenyl)-1,3-dimethyl-2H-imidazole

2-(4-chloro-2-methylphenyl)-1,3-dimethyl-2H-imidazole (PubChem CID 57183415) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-1,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-1,3-dimethyl-2H-imidazole
PubChem CID57183415
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-(4-chloro-2-methylphenyl)-1,3-dimethyl-2H-imidazole
SMILESCc1cc(Cl)ccc1C1N(C)C=CN1C
InChIInChI=1S/C12H15ClN2/c1-9-8-10(13)4-5-11(9)12-14(2)6-7-15(12)3/h4-8,12H,1-3H3
InChIKeyZQNNGDAJNQEYRX-UHFFFAOYSA-N
XLogP3.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)-1,3-dimethyl-2H-imidazole?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-1,3-dimethyl-2H-imidazole (CID 57183415) is 2-(4-chloro-2-methylphenyl)-1,3-dimethyl-2H-imidazole.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-1,3-dimethyl-2H-imidazole?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-1,3-dimethyl-2H-imidazole is Cc1cc(Cl)ccc1C1N(C)C=CN1C.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-1,3-dimethyl-2H-imidazole?
The InChIKey is ZQNNGDAJNQEYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-9-8-10(13)4-5-11(9)12-14(2)6-7-15(12)3/h4-8,12H,1-3H3.
What are the key properties of 2-(4-chloro-2-methylphenyl)-1,3-dimethyl-2H-imidazole?
2-(4-chloro-2-methylphenyl)-1,3-dimethyl-2H-imidazole has a molecular weight of 222.72 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)-1,3-dimethyl-2H-imidazole is sourced from PubChem (CID 57183415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).