[3-(imidazol-1-ylmethyl)phenyl]-phenylmethanone

C17H14N2O — CID 16747938

IUPAC[3-(imidazol-1-ylmethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C17H14N2O/c20-17(15-6-2-1-3-7-15)16-8-4-5-14(11-16)12-19-10-9-18-13-19/h1-11,13H,12H2
InChIKeyNEIDBIJTDWHUDH-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.16
Rot. Bonds4

About [3-(imidazol-1-ylmethyl)phenyl]-phenylmethanone

[3-(imidazol-1-ylmethyl)phenyl]-phenylmethanone (PubChem CID 16747938) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is [3-(imidazol-1-ylmethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-(imidazol-1-ylmethyl)phenyl]-phenylmethanone
PubChem CID16747938
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name[3-(imidazol-1-ylmethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(Cn2ccnc2)c1
InChIInChI=1S/C17H14N2O/c20-17(15-6-2-1-3-7-15)16-8-4-5-14(11-16)12-19-10-9-18-13-19/h1-11,13H,12H2
InChIKeyNEIDBIJTDWHUDH-UHFFFAOYSA-N
XLogP3.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(imidazol-1-ylmethyl)phenyl]-phenylmethanone?
The IUPAC name of [3-(imidazol-1-ylmethyl)phenyl]-phenylmethanone (CID 16747938) is [3-(imidazol-1-ylmethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [3-(imidazol-1-ylmethyl)phenyl]-phenylmethanone?
The canonical SMILES for [3-(imidazol-1-ylmethyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1cccc(Cn2ccnc2)c1.
What is the InChIKey of [3-(imidazol-1-ylmethyl)phenyl]-phenylmethanone?
The InChIKey is NEIDBIJTDWHUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17(15-6-2-1-3-7-15)16-8-4-5-14(11-16)12-19-10-9-18-13-19/h1-11,13H,12H2.
What are the key properties of [3-(imidazol-1-ylmethyl)phenyl]-phenylmethanone?
[3-(imidazol-1-ylmethyl)phenyl]-phenylmethanone has a molecular weight of 262.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(imidazol-1-ylmethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 16747938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).