1H-imidazol-5-yl-(4-methoxyphenyl)methanone

C11H10N2O2 — CID 760231

IUPAC1H-imidazol-5-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnc[nH]2)cc1
InChIInChI=1S/C11H10N2O2/c1-15-9-4-2-8(3-5-9)11(14)10-6-12-7-13-10/h2-7H,1H3,(H,12,13)
InChIKeyRQEVOUAOUXHESN-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.65
Rot. Bonds3

About 1H-imidazol-5-yl-(4-methoxyphenyl)methanone

1H-imidazol-5-yl-(4-methoxyphenyl)methanone (PubChem CID 760231) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1H-imidazol-5-yl-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl-(4-methoxyphenyl)methanone
PubChem CID760231
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name1H-imidazol-5-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnc[nH]2)cc1
InChIInChI=1S/C11H10N2O2/c1-15-9-4-2-8(3-5-9)11(14)10-6-12-7-13-10/h2-7H,1H3,(H,12,13)
InChIKeyRQEVOUAOUXHESN-UHFFFAOYSA-N
XLogP1.65
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-(4-methoxyphenyl)methanone?
The IUPAC name of 1H-imidazol-5-yl-(4-methoxyphenyl)methanone (CID 760231) is 1H-imidazol-5-yl-(4-methoxyphenyl)methanone.
What is the SMILES notation for 1H-imidazol-5-yl-(4-methoxyphenyl)methanone?
The canonical SMILES for 1H-imidazol-5-yl-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cnc[nH]2)cc1.
What is the InChIKey of 1H-imidazol-5-yl-(4-methoxyphenyl)methanone?
The InChIKey is RQEVOUAOUXHESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-9-4-2-8(3-5-9)11(14)10-6-12-7-13-10/h2-7H,1H3,(H,12,13).
What are the key properties of 1H-imidazol-5-yl-(4-methoxyphenyl)methanone?
1H-imidazol-5-yl-(4-methoxyphenyl)methanone has a molecular weight of 202.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-(4-methoxyphenyl)methanone is sourced from PubChem (CID 760231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).