3-(2-methylimidazol-1-yl)-1,1-diphenylpropan-1-ol

C19H20N2O — CID 15895912

IUPAC3-(2-methylimidazol-1-yl)-1,1-diphenylpropan-1-ol
SMILESCc1nccn1CCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-16-20-13-15-21(16)14-12-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,15,22H,12,14H2,1H3
InChIKeyNCWXBUMNQFJLRI-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.52
Rot. Bonds5

About 3-(2-methylimidazol-1-yl)-1,1-diphenylpropan-1-ol

3-(2-methylimidazol-1-yl)-1,1-diphenylpropan-1-ol (PubChem CID 15895912) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)-1,1-diphenylpropan-1-ol.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)-1,1-diphenylpropan-1-ol
PubChem CID15895912
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3-(2-methylimidazol-1-yl)-1,1-diphenylpropan-1-ol
SMILESCc1nccn1CCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-16-20-13-15-21(16)14-12-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,15,22H,12,14H2,1H3
InChIKeyNCWXBUMNQFJLRI-UHFFFAOYSA-N
XLogP3.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)-1,1-diphenylpropan-1-ol?
The IUPAC name of 3-(2-methylimidazol-1-yl)-1,1-diphenylpropan-1-ol (CID 15895912) is 3-(2-methylimidazol-1-yl)-1,1-diphenylpropan-1-ol.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)-1,1-diphenylpropan-1-ol?
The canonical SMILES for 3-(2-methylimidazol-1-yl)-1,1-diphenylpropan-1-ol is Cc1nccn1CCC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2-methylimidazol-1-yl)-1,1-diphenylpropan-1-ol?
The InChIKey is NCWXBUMNQFJLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-16-20-13-15-21(16)14-12-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,15,22H,12,14H2,1H3.
What are the key properties of 3-(2-methylimidazol-1-yl)-1,1-diphenylpropan-1-ol?
3-(2-methylimidazol-1-yl)-1,1-diphenylpropan-1-ol has a molecular weight of 292.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)-1,1-diphenylpropan-1-ol is sourced from PubChem (CID 15895912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).