(2-phenyl-1H-imidazol-5-yl)methanediol

C10H10N2O2 — CID 70125752

IUPAC(2-phenyl-1H-imidazol-5-yl)methanediol
SMILESOC(O)c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H10N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6,10,13-14H,(H,11,12)
InChIKeyIKFHBUOMIXVTMB-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.06
Rot. Bonds2

About (2-phenyl-1H-imidazol-5-yl)methanediol

(2-phenyl-1H-imidazol-5-yl)methanediol (PubChem CID 70125752) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2-phenyl-1H-imidazol-5-yl)methanediol.

Molecular Properties

Compound Name(2-phenyl-1H-imidazol-5-yl)methanediol
PubChem CID70125752
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(2-phenyl-1H-imidazol-5-yl)methanediol
SMILESOC(O)c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H10N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6,10,13-14H,(H,11,12)
InChIKeyIKFHBUOMIXVTMB-UHFFFAOYSA-N
XLogP1.06
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1H-imidazol-5-yl)methanediol?
The IUPAC name of (2-phenyl-1H-imidazol-5-yl)methanediol (CID 70125752) is (2-phenyl-1H-imidazol-5-yl)methanediol.
What is the SMILES notation for (2-phenyl-1H-imidazol-5-yl)methanediol?
The canonical SMILES for (2-phenyl-1H-imidazol-5-yl)methanediol is OC(O)c1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of (2-phenyl-1H-imidazol-5-yl)methanediol?
The InChIKey is IKFHBUOMIXVTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6,10,13-14H,(H,11,12).
What are the key properties of (2-phenyl-1H-imidazol-5-yl)methanediol?
(2-phenyl-1H-imidazol-5-yl)methanediol has a molecular weight of 190.20 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1H-imidazol-5-yl)methanediol is sourced from PubChem (CID 70125752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).