4-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2-diol

C16H14N2O2 — CID 23644762

IUPAC4-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2-diol
SMILESOc1ccc(-c2ccc(Cn3ccnc3)cc2)cc1O
InChIInChI=1S/C16H14N2O2/c19-15-6-5-14(9-16(15)20)13-3-1-12(2-4-13)10-18-8-7-17-11-18/h1-9,11,19-20H,10H2
InChIKeyZBAKMRUCOWLQHX-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.01
Rot. Bonds3

About 4-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2-diol

4-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2-diol (PubChem CID 23644762) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2-diol
PubChem CID23644762
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2-diol
SMILESOc1ccc(-c2ccc(Cn3ccnc3)cc2)cc1O
InChIInChI=1S/C16H14N2O2/c19-15-6-5-14(9-16(15)20)13-3-1-12(2-4-13)10-18-8-7-17-11-18/h1-9,11,19-20H,10H2
InChIKeyZBAKMRUCOWLQHX-UHFFFAOYSA-N
XLogP3.01
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

rac-4''-(1-Imidazol-1-yl-propyl)-biphenyl-3,4-diol
CID 42642718
1-(4-Hydroxybenzyl)imidazole
CID 193822
4''-(1H-Imidazol-1-yl-propyl)-biphenyl-4-ol
CID 42642716
rac-4''-(1-Imidazol-1-yl-propyl)-biphenyl-3-ol
CID 42642717
rac-4''-(1-Imidazol-1-yl-propyl)-biphenyl-3,5-diol
CID 42642719
7-(1-(1H-imidazol-1-yl)ethyl)-9H-fluoren-2-ol
CID 44586828
4-[1,1-Bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol
CID 129137246
4-[1-(4-Hydroxyphenyl)-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol
CID 129137293
3-[1,1-Bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol
CID 129137300
4-[1,1-Bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol
CID 129137306
Imidazole-1-ethanol, alpha-(3,4-dihydroxyphenyl)-, monohydrochloride
CID 3057027
rac-3''-Fluoro-4''-(1-imidazol-1-yl-propyl)-biphenyl-4-ol
CID 42642720

Frequently Asked Questions

What is the IUPAC name of 4-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2-diol?
The IUPAC name of 4-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2-diol (CID 23644762) is 4-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2-diol.
What is the SMILES notation for 4-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2-diol?
The canonical SMILES for 4-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2-diol is Oc1ccc(-c2ccc(Cn3ccnc3)cc2)cc1O.
What is the InChIKey of 4-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2-diol?
The InChIKey is ZBAKMRUCOWLQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15-6-5-14(9-16(15)20)13-3-1-12(2-4-13)10-18-8-7-17-11-18/h1-9,11,19-20H,10H2.
What are the key properties of 4-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2-diol?
4-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2-diol has a molecular weight of 266.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2-diol is sourced from PubChem (CID 23644762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).