1H-imidazol-2-yl-(4-methylphenyl)methanone

C11H10N2O — CID 3661024

IUPAC1H-imidazol-2-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ncc[nH]2)cc1
InChIInChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)10(14)11-12-6-7-13-11/h2-7H,1H3,(H,12,13)
InChIKeyMWFUQWJSIBEMPW-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.95
Rot. Bonds2

About 1H-imidazol-2-yl-(4-methylphenyl)methanone

1H-imidazol-2-yl-(4-methylphenyl)methanone (PubChem CID 3661024) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1H-imidazol-2-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl-(4-methylphenyl)methanone
PubChem CID3661024
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1H-imidazol-2-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ncc[nH]2)cc1
InChIInChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)10(14)11-12-6-7-13-11/h2-7H,1H3,(H,12,13)
InChIKeyMWFUQWJSIBEMPW-UHFFFAOYSA-N
XLogP1.95
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.95
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-(4-methylphenyl)methanone?
The IUPAC name of 1H-imidazol-2-yl-(4-methylphenyl)methanone (CID 3661024) is 1H-imidazol-2-yl-(4-methylphenyl)methanone.
What is the SMILES notation for 1H-imidazol-2-yl-(4-methylphenyl)methanone?
The canonical SMILES for 1H-imidazol-2-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ncc[nH]2)cc1.
What is the InChIKey of 1H-imidazol-2-yl-(4-methylphenyl)methanone?
The InChIKey is MWFUQWJSIBEMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)10(14)11-12-6-7-13-11/h2-7H,1H3,(H,12,13).
What are the key properties of 1H-imidazol-2-yl-(4-methylphenyl)methanone?
1H-imidazol-2-yl-(4-methylphenyl)methanone has a molecular weight of 186.21 g/mol, XLogP of 1.95, 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-(4-methylphenyl)methanone is sourced from PubChem (CID 3661024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).