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

C13H14N2O — CID 107976703

IUPAC(3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanone
SMILESCc1ccc(C(=O)c2cn(C)cn2)cc1C
InChIInChI=1S/C13H14N2O/c1-9-4-5-11(6-10(9)2)13(16)12-7-15(3)8-14-12/h4-8H,1-3H3
InChIKeyQXQLQJGUNHKCCS-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.27
Rot. Bonds2

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

(3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanone (PubChem CID 107976703) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanone
PubChem CID107976703
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanone
SMILESCc1ccc(C(=O)c2cn(C)cn2)cc1C
InChIInChI=1S/C13H14N2O/c1-9-4-5-11(6-10(9)2)13(16)12-7-15(3)8-14-12/h4-8H,1-3H3
InChIKeyQXQLQJGUNHKCCS-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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Related Compounds

(6-bromonaphthalen-2-yl)-(1-methylimidazol-4-yl)methanone
CID 114272864
(3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802720
(3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222403
(3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105093552
(6-chloropyrimidin-4-yl)-(3,4-dimethylphenyl)methanone
CID 58181201
(3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43337407
(3-chloro-4-methylthiophen-2-yl)-(1-methylimidazol-4-yl)methanone
CID 130509694
[6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone
CID 114273237
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
sodium 1-methylimidazole-4-carboxylate
CID 153341687
(3,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone
CID 83703819
2-(3-methoxy-4-methylphenyl)-3-(1-methylimidazol-4-yl)-3-oxopropanenitrile
CID 107972440

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanone (CID 107976703) is (3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanone is Cc1ccc(C(=O)c2cn(C)cn2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanone?
The InChIKey is QXQLQJGUNHKCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-4-5-11(6-10(9)2)13(16)12-7-15(3)8-14-12/h4-8H,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanone?
(3,4-dimethylphenyl)-(1-methylimidazol-4-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-4-yl)methanone is sourced from PubChem (CID 107976703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).