1H-imidazol-5-yl(phenyl)methanone

C10H8N2O — CID 556113

IUPAC1H-imidazol-5-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1cnc[nH]1
InChIInChI=1S/C10H8N2O/c13-10(9-6-11-7-12-9)8-4-2-1-3-5-8/h1-7H,(H,11,12)
InChIKeyDECHVIXTYBTMBL-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.64
Rot. Bonds2

About 1H-imidazol-5-yl(phenyl)methanone

1H-imidazol-5-yl(phenyl)methanone (PubChem CID 556113) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 1H-imidazol-5-yl(phenyl)methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl(phenyl)methanone
PubChem CID556113
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name1H-imidazol-5-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1cnc[nH]1
InChIInChI=1S/C10H8N2O/c13-10(9-6-11-7-12-9)8-4-2-1-3-5-8/h1-7H,(H,11,12)
InChIKeyDECHVIXTYBTMBL-UHFFFAOYSA-N
XLogP1.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl(phenyl)methanone?
The IUPAC name of 1H-imidazol-5-yl(phenyl)methanone (CID 556113) is 1H-imidazol-5-yl(phenyl)methanone.
What is the SMILES notation for 1H-imidazol-5-yl(phenyl)methanone?
The canonical SMILES for 1H-imidazol-5-yl(phenyl)methanone is O=C(c1ccccc1)c1cnc[nH]1.
What is the InChIKey of 1H-imidazol-5-yl(phenyl)methanone?
The InChIKey is DECHVIXTYBTMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c13-10(9-6-11-7-12-9)8-4-2-1-3-5-8/h1-7H,(H,11,12).
What are the key properties of 1H-imidazol-5-yl(phenyl)methanone?
1H-imidazol-5-yl(phenyl)methanone has a molecular weight of 172.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl(phenyl)methanone is sourced from PubChem (CID 556113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).