(3,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone

C13H14N2O — CID 3264798

IUPAC(3,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone
SMILESCc1ccc(C(=O)c2nccn2C)cc1C
InChIInChI=1S/C13H14N2O/c1-9-4-5-11(8-10(9)2)12(16)13-14-6-7-15(13)3/h4-8H,1-3H3
InChIKeyNGVYFJWQVRAAIL-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.27
Rot. Bonds2

About (3,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone

(3,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone (PubChem CID 3264798) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone
PubChem CID3264798
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(3,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone
SMILESCc1ccc(C(=O)c2nccn2C)cc1C
InChIInChI=1S/C13H14N2O/c1-9-4-5-11(8-10(9)2)12(16)13-14-6-7-15(13)3/h4-8H,1-3H3
InChIKeyNGVYFJWQVRAAIL-UHFFFAOYSA-N
XLogP2.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone (CID 3264798) is (3,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone is Cc1ccc(C(=O)c2nccn2C)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is NGVYFJWQVRAAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-4-5-11(8-10(9)2)12(16)13-14-6-7-15(13)3/h4-8H,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone?
(3,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 214.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 3264798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).