3-imidazol-1-yl-1,1-diphenylpropan-1-ol

C18H18N2O — CID 24895248

IUPAC3-imidazol-1-yl-1,1-diphenylpropan-1-ol
SMILESOC(CCn1ccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O/c21-18(16-7-3-1-4-8-16,17-9-5-2-6-10-17)11-13-20-14-12-19-15-20/h1-10,12,14-15,21H,11,13H2
InChIKeySMMCZMNOWZVODM-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.21
Rot. Bonds5

About 3-imidazol-1-yl-1,1-diphenylpropan-1-ol

3-imidazol-1-yl-1,1-diphenylpropan-1-ol (PubChem CID 24895248) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-imidazol-1-yl-1,1-diphenylpropan-1-ol.

Molecular Properties

Compound Name3-imidazol-1-yl-1,1-diphenylpropan-1-ol
PubChem CID24895248
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-imidazol-1-yl-1,1-diphenylpropan-1-ol
SMILESOC(CCn1ccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O/c21-18(16-7-3-1-4-8-16,17-9-5-2-6-10-17)11-13-20-14-12-19-15-20/h1-10,12,14-15,21H,11,13H2
InChIKeySMMCZMNOWZVODM-UHFFFAOYSA-N
XLogP3.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1,1-diphenylpropan-1-ol?
The IUPAC name of 3-imidazol-1-yl-1,1-diphenylpropan-1-ol (CID 24895248) is 3-imidazol-1-yl-1,1-diphenylpropan-1-ol.
What is the SMILES notation for 3-imidazol-1-yl-1,1-diphenylpropan-1-ol?
The canonical SMILES for 3-imidazol-1-yl-1,1-diphenylpropan-1-ol is OC(CCn1ccnc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-imidazol-1-yl-1,1-diphenylpropan-1-ol?
The InChIKey is SMMCZMNOWZVODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-18(16-7-3-1-4-8-16,17-9-5-2-6-10-17)11-13-20-14-12-19-15-20/h1-10,12,14-15,21H,11,13H2.
What are the key properties of 3-imidazol-1-yl-1,1-diphenylpropan-1-ol?
3-imidazol-1-yl-1,1-diphenylpropan-1-ol has a molecular weight of 278.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1,1-diphenylpropan-1-ol is sourced from PubChem (CID 24895248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).