bis(1H-imidazol-5-yl)-phenylmethanol

C13H12N4O — CID 3763157

IUPACbis(1H-imidazol-5-yl)-phenylmethanol
SMILESOC(c1ccccc1)(c1cnc[nH]1)c1cnc[nH]1
InChIInChI=1S/C13H12N4O/c18-13(11-6-14-8-16-11,12-7-15-9-17-12)10-4-2-1-3-5-10/h1-9,18H,(H,14,16)(H,15,17)
InChIKeyAYMOLPBPIRBTTF-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.42
Rot. Bonds3

About bis(1H-imidazol-5-yl)-phenylmethanol

bis(1H-imidazol-5-yl)-phenylmethanol (PubChem CID 3763157) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is bis(1H-imidazol-5-yl)-phenylmethanol.

Molecular Properties

Compound Namebis(1H-imidazol-5-yl)-phenylmethanol
PubChem CID3763157
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Namebis(1H-imidazol-5-yl)-phenylmethanol
SMILESOC(c1ccccc1)(c1cnc[nH]1)c1cnc[nH]1
InChIInChI=1S/C13H12N4O/c18-13(11-6-14-8-16-11,12-7-15-9-17-12)10-4-2-1-3-5-10/h1-9,18H,(H,14,16)(H,15,17)
InChIKeyAYMOLPBPIRBTTF-UHFFFAOYSA-N
XLogP1.42
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(1H-imidazol-5-yl)-phenylmethanol?
The IUPAC name of bis(1H-imidazol-5-yl)-phenylmethanol (CID 3763157) is bis(1H-imidazol-5-yl)-phenylmethanol.
What is the SMILES notation for bis(1H-imidazol-5-yl)-phenylmethanol?
The canonical SMILES for bis(1H-imidazol-5-yl)-phenylmethanol is OC(c1ccccc1)(c1cnc[nH]1)c1cnc[nH]1.
What is the InChIKey of bis(1H-imidazol-5-yl)-phenylmethanol?
The InChIKey is AYMOLPBPIRBTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-13(11-6-14-8-16-11,12-7-15-9-17-12)10-4-2-1-3-5-10/h1-9,18H,(H,14,16)(H,15,17).
What are the key properties of bis(1H-imidazol-5-yl)-phenylmethanol?
bis(1H-imidazol-5-yl)-phenylmethanol has a molecular weight of 240.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazol-5-yl)-phenylmethanol is sourced from PubChem (CID 3763157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).