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

C17H14N2O — CID 16747937

IUPAC[2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1Cn1ccnc1
InChIInChI=1S/C17H14N2O/c20-17(14-6-2-1-3-7-14)16-9-5-4-8-15(16)12-19-11-10-18-13-19/h1-11,13H,12H2
InChIKeyMHUKQEOTIZXKEL-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.16
Rot. Bonds4

About [2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone

[2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone (PubChem CID 16747937) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is [2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone
PubChem CID16747937
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name[2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1Cn1ccnc1
InChIInChI=1S/C17H14N2O/c20-17(14-6-2-1-3-7-14)16-9-5-4-8-15(16)12-19-11-10-18-13-19/h1-11,13H,12H2
InChIKeyMHUKQEOTIZXKEL-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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Related Compounds

methyl 3-[2-(imidazol-1-ylmethyl)phenyl]-2-methyl-3-oxopropanoate
CID 134280288
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
4-[2-(imidazol-1-ylmethoxycarbonyl)benzoyl]benzoic acid
CID 175063625
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55475580
2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 37423336
N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 38101764
3-(imidazol-1-ylmethyl)benzene-1,2-diol
CID 11159799
2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione
CID 11336777
1-(2-phenyl-2-sulfonylethyl)imidazole
CID 21402211
benzoic acid;1-propylimidazole
CID 173073057
(4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 171357643

Frequently Asked Questions

What is the IUPAC name of [2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone?
The IUPAC name of [2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone (CID 16747937) is [2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1Cn1ccnc1.
What is the InChIKey of [2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone?
The InChIKey is MHUKQEOTIZXKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17(14-6-2-1-3-7-14)16-9-5-4-8-15(16)12-19-11-10-18-13-19/h1-11,13H,12H2.
What are the key properties of [2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone?
[2-(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 [2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 16747937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).