(4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone

C17H14N2O2 — CID 171357643

IUPAC(4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C17H14N2O2/c20-16-7-5-15(6-8-16)17(21)14-3-1-13(2-4-14)11-19-10-9-18-12-19/h1-10,12,20H,11H2
InChIKeyVRCUMULLGAIVBA-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.87
Rot. Bonds4

About (4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone

(4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone (PubChem CID 171357643) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
PubChem CID171357643
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C17H14N2O2/c20-16-7-5-15(6-8-16)17(21)14-3-1-13(2-4-14)11-19-10-9-18-12-19/h1-10,12,20H,11H2
InChIKeyVRCUMULLGAIVBA-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(imidazol-1-ylmethyl)benzoate
CID 42555847
[4-(imidazol-1-ylmethyl)phenyl]methyl hydrogen carbonate
CID 137392132
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 37423336
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 121105751
N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 38101764
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35859922
(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 43924627
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone (CID 171357643) is (4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone is O=C(c1ccc(O)cc1)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of (4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone?
The InChIKey is VRCUMULLGAIVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-16-7-5-15(6-8-16)17(21)14-3-1-13(2-4-14)11-19-10-9-18-12-19/h1-10,12,20H,11H2.
What are the key properties of (4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone?
(4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone has a molecular weight of 278.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 171357643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).