[5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol

C13H12N4O — CID 174612893

IUPAC[5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol
SMILESOCc1ncc(-c2ccccc2-n2ccnc2)[nH]1
InChIInChI=1S/C13H12N4O/c18-8-13-15-7-11(16-13)10-3-1-2-4-12(10)17-6-5-14-9-17/h1-7,9,18H,8H2,(H,15,16)
InChIKeyCKEAAHQWOIJTBL-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.75
Rot. Bonds3

About [5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol

[5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol (PubChem CID 174612893) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is [5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol
PubChem CID174612893
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name[5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol
SMILESOCc1ncc(-c2ccccc2-n2ccnc2)[nH]1
InChIInChI=1S/C13H12N4O/c18-8-13-15-7-11(16-13)10-3-1-2-4-12(10)17-6-5-14-9-17/h1-7,9,18H,8H2,(H,15,16)
InChIKeyCKEAAHQWOIJTBL-UHFFFAOYSA-N
XLogP1.75
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-imidazol-1-ylphenyl)quinoline
CID 67206149
1-(2-naphthalen-2-ylphenyl)imidazole
CID 90911768
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CID 175383926
4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
CID 117325152
1-(2-imidazol-1-ylphenyl)pyrazole
CID 125480234
1-imidazol-1-yl-8-pyridin-2-yl-9H-carbazole
CID 148903074
[3-(2-imidazol-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354726
(1-imidazol-1-ylisoquinolin-4-yl)methanol
CID 106768496
1-[2,3-di(imidazol-1-yl)phenyl]imidazole
CID 141435532
N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119844180
2-imidazol-1-ylaniline;dihydrochloride
CID 46786017
(4-imidazol-1-yl-3-methylphenyl)methanol
CID 62122421

Frequently Asked Questions

What is the IUPAC name of [5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol?
The IUPAC name of [5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol (CID 174612893) is [5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol.
What is the SMILES notation for [5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol?
The canonical SMILES for [5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol is OCc1ncc(-c2ccccc2-n2ccnc2)[nH]1.
What is the InChIKey of [5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol?
The InChIKey is CKEAAHQWOIJTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-8-13-15-7-11(16-13)10-3-1-2-4-12(10)17-6-5-14-9-17/h1-7,9,18H,8H2,(H,15,16).
What are the key properties of [5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol?
[5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol has a molecular weight of 240.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol is sourced from PubChem (CID 174612893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).