1H-imidazol-2-yl-(2,3,4-trimethylphenyl)methanone

C13H14N2O — CID 54073099

IUPAC1H-imidazol-2-yl-(2,3,4-trimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ncc[nH]2)c(C)c1C
InChIInChI=1S/C13H14N2O/c1-8-4-5-11(10(3)9(8)2)12(16)13-14-6-7-15-13/h4-7H,1-3H3,(H,14,15)
InChIKeyMHVSLWLZUWBNBA-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.57
Rot. Bonds2

About 1H-imidazol-2-yl-(2,3,4-trimethylphenyl)methanone

1H-imidazol-2-yl-(2,3,4-trimethylphenyl)methanone (PubChem CID 54073099) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1H-imidazol-2-yl-(2,3,4-trimethylphenyl)methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl-(2,3,4-trimethylphenyl)methanone
PubChem CID54073099
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1H-imidazol-2-yl-(2,3,4-trimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ncc[nH]2)c(C)c1C
InChIInChI=1S/C13H14N2O/c1-8-4-5-11(10(3)9(8)2)12(16)13-14-6-7-15-13/h4-7H,1-3H3,(H,14,15)
InChIKeyMHVSLWLZUWBNBA-UHFFFAOYSA-N
XLogP2.57
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl-(2,3,4-trimethylphenyl)methanone?
The IUPAC name of 1H-imidazol-2-yl-(2,3,4-trimethylphenyl)methanone (CID 54073099) is 1H-imidazol-2-yl-(2,3,4-trimethylphenyl)methanone.
What is the SMILES notation for 1H-imidazol-2-yl-(2,3,4-trimethylphenyl)methanone?
The canonical SMILES for 1H-imidazol-2-yl-(2,3,4-trimethylphenyl)methanone is Cc1ccc(C(=O)c2ncc[nH]2)c(C)c1C.
What is the InChIKey of 1H-imidazol-2-yl-(2,3,4-trimethylphenyl)methanone?
The InChIKey is MHVSLWLZUWBNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-4-5-11(10(3)9(8)2)12(16)13-14-6-7-15-13/h4-7H,1-3H3,(H,14,15).
What are the key properties of 1H-imidazol-2-yl-(2,3,4-trimethylphenyl)methanone?
1H-imidazol-2-yl-(2,3,4-trimethylphenyl)methanone has a molecular weight of 214.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl-(2,3,4-trimethylphenyl)methanone is sourced from PubChem (CID 54073099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).