1-(1-tritylimidazol-4-yl)propan-2-ol

C25H24N2O — CID 139755618

IUPAC1-(1-tritylimidazol-4-yl)propan-2-ol
SMILESCC(O)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H24N2O/c1-20(28)17-24-18-27(19-26-24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18-20,28H,17H2,1H3
InChIKeyPWUMHJPFKWBFBT-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.65
Rot. Bonds6

About 1-(1-tritylimidazol-4-yl)propan-2-ol

1-(1-tritylimidazol-4-yl)propan-2-ol (PubChem CID 139755618) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(1-tritylimidazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-tritylimidazol-4-yl)propan-2-ol
PubChem CID139755618
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name1-(1-tritylimidazol-4-yl)propan-2-ol
SMILESCC(O)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H24N2O/c1-20(28)17-24-18-27(19-26-24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18-20,28H,17H2,1H3
InChIKeyPWUMHJPFKWBFBT-UHFFFAOYSA-N
XLogP4.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tritylimidazol-4-yl)propan-2-ol?
The IUPAC name of 1-(1-tritylimidazol-4-yl)propan-2-ol (CID 139755618) is 1-(1-tritylimidazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(1-tritylimidazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(1-tritylimidazol-4-yl)propan-2-ol is CC(O)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 1-(1-tritylimidazol-4-yl)propan-2-ol?
The InChIKey is PWUMHJPFKWBFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-20(28)17-24-18-27(19-26-24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18-20,28H,17H2,1H3.
What are the key properties of 1-(1-tritylimidazol-4-yl)propan-2-ol?
1-(1-tritylimidazol-4-yl)propan-2-ol has a molecular weight of 368.48 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tritylimidazol-4-yl)propan-2-ol is sourced from PubChem (CID 139755618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).