2-(1H-imidazol-2-yl)-1-phenylethanone

C11H10N2O — CID 2443031

IUPAC2-(1H-imidazol-2-yl)-1-phenylethanone
SMILESO=C(Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C11H10N2O/c14-10(8-11-12-6-7-13-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)
InChIKeyDKLIVMUSYMTQSF-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.84
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-1-phenylethanone

2-(1H-imidazol-2-yl)-1-phenylethanone (PubChem CID 2443031) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-phenylethanone
PubChem CID2443031
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-(1H-imidazol-2-yl)-1-phenylethanone
SMILESO=C(Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C11H10N2O/c14-10(8-11-12-6-7-13-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)
InChIKeyDKLIVMUSYMTQSF-UHFFFAOYSA-N
XLogP1.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-phenylethanone?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-phenylethanone (CID 2443031) is 2-(1H-imidazol-2-yl)-1-phenylethanone.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-phenylethanone?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-phenylethanone is O=C(Cc1ncc[nH]1)c1ccccc1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-phenylethanone?
The InChIKey is DKLIVMUSYMTQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-10(8-11-12-6-7-13-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13).
What are the key properties of 2-(1H-imidazol-2-yl)-1-phenylethanone?
2-(1H-imidazol-2-yl)-1-phenylethanone has a molecular weight of 186.21 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-phenylethanone is sourced from PubChem (CID 2443031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).