3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol

C29H32N2O — CID 19904240

IUPAC3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(C)cc(C(O)(CCc2cncn2Cc2ccccc2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C29H32N2O/c1-21-12-22(2)15-26(14-21)29(32,27-16-23(3)13-24(4)17-27)11-10-28-18-30-20-31(28)19-25-8-6-5-7-9-25/h5-9,12-18,20,32H,10-11,19H2,1-4H3
InChIKeyXYYODYAKXUCSQI-UHFFFAOYSA-N
MW424.59 g/mol
LogP6.03
Rot. Bonds7

About 3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol

3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol (PubChem CID 19904240) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol. Its IUPAC name is 3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol
PubChem CID19904240
Molecular FormulaC29H32N2O
Molecular Weight424.59 g/mol
Exact Mass424.25
IUPAC Name3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(C)cc(C(O)(CCc2cncn2Cc2ccccc2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C29H32N2O/c1-21-12-22(2)15-26(14-21)29(32,27-16-23(3)13-24(4)17-27)11-10-28-18-30-20-31(28)19-25-8-6-5-7-9-25/h5-9,12-18,20,32H,10-11,19H2,1-4H3
InChIKeyXYYODYAKXUCSQI-UHFFFAOYSA-N
XLogP6.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol (CID 19904240) is 3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol is Cc1cc(C)cc(C(O)(CCc2cncn2Cc2ccccc2)c2cc(C)cc(C)c2)c1.
What is the InChIKey of 3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol?
The InChIKey is XYYODYAKXUCSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O/c1-21-12-22(2)15-26(14-21)29(32,27-16-23(3)13-24(4)17-27)11-10-28-18-30-20-31(28)19-25-8-6-5-7-9-25/h5-9,12-18,20,32H,10-11,19H2,1-4H3.
What are the key properties of 3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol?
3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol has a molecular weight of 424.59 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylimidazol-4-yl)-1,1-bis(3,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 19904240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).