[3-[2-(hydroxymethyl)phenyl]phenyl]-(1-methylimidazol-2-yl)methanone

C18H16N2O2 — CID 50975771

IUPAC[3-[2-(hydroxymethyl)phenyl]phenyl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1cccc(-c2ccccc2CO)c1
InChIInChI=1S/C18H16N2O2/c1-20-10-9-19-18(20)17(22)14-7-4-6-13(11-14)16-8-3-2-5-15(16)12-21/h2-11,21H,12H2,1H3
InChIKeyLZRRBHFQJQXKAO-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.81
Rot. Bonds4

About [3-[2-(hydroxymethyl)phenyl]phenyl]-(1-methylimidazol-2-yl)methanone

[3-[2-(hydroxymethyl)phenyl]phenyl]-(1-methylimidazol-2-yl)methanone (PubChem CID 50975771) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is [3-[2-(hydroxymethyl)phenyl]phenyl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[3-[2-(hydroxymethyl)phenyl]phenyl]-(1-methylimidazol-2-yl)methanone
PubChem CID50975771
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name[3-[2-(hydroxymethyl)phenyl]phenyl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1cccc(-c2ccccc2CO)c1
InChIInChI=1S/C18H16N2O2/c1-20-10-9-19-18(20)17(22)14-7-4-6-13(11-14)16-8-3-2-5-15(16)12-21/h2-11,21H,12H2,1H3
InChIKeyLZRRBHFQJQXKAO-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(hydroxymethyl)phenyl]phenyl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [3-[2-(hydroxymethyl)phenyl]phenyl]-(1-methylimidazol-2-yl)methanone (CID 50975771) is [3-[2-(hydroxymethyl)phenyl]phenyl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [3-[2-(hydroxymethyl)phenyl]phenyl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [3-[2-(hydroxymethyl)phenyl]phenyl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)c1cccc(-c2ccccc2CO)c1.
What is the InChIKey of [3-[2-(hydroxymethyl)phenyl]phenyl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is LZRRBHFQJQXKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-20-10-9-19-18(20)17(22)14-7-4-6-13(11-14)16-8-3-2-5-15(16)12-21/h2-11,21H,12H2,1H3.
What are the key properties of [3-[2-(hydroxymethyl)phenyl]phenyl]-(1-methylimidazol-2-yl)methanone?
[3-[2-(hydroxymethyl)phenyl]phenyl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 292.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(hydroxymethyl)phenyl]phenyl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 50975771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).