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

C25H24N2O — CID 67700682

IUPAC(2S)-1-(2-tritylimidazol-2-yl)propan-2-ol
SMILESC[C@H](O)CC1(C(c2ccccc2)(c2ccccc2)c2ccccc2)N=CC=N1
InChIInChI=1S/C25H24N2O/c1-20(28)19-24(26-17-18-27-24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18,20,28H,19H2,1H3/t20-/m0/s1
InChIKeySTOXUFIZKANFCI-FQEVSTJZSA-N
MW368.48 g/mol
LogP4.64
Rot. Bonds6

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

(2S)-1-(2-tritylimidazol-2-yl)propan-2-ol (PubChem CID 67700682) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is (2S)-1-(2-tritylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-tritylimidazol-2-yl)propan-2-ol
PubChem CID67700682
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name(2S)-1-(2-tritylimidazol-2-yl)propan-2-ol
SMILESC[C@H](O)CC1(C(c2ccccc2)(c2ccccc2)c2ccccc2)N=CC=N1
InChIInChI=1S/C25H24N2O/c1-20(28)19-24(26-17-18-27-24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18,20,28H,19H2,1H3/t20-/m0/s1
InChIKeySTOXUFIZKANFCI-FQEVSTJZSA-N
XLogP4.64
TPSA44.95 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 ≤ 54.64
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 (2S)-1-(2-tritylimidazol-2-yl)propan-2-ol?
The IUPAC name of (2S)-1-(2-tritylimidazol-2-yl)propan-2-ol (CID 67700682) is (2S)-1-(2-tritylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-tritylimidazol-2-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(2-tritylimidazol-2-yl)propan-2-ol is C[C@H](O)CC1(C(c2ccccc2)(c2ccccc2)c2ccccc2)N=CC=N1.
What is the InChIKey of (2S)-1-(2-tritylimidazol-2-yl)propan-2-ol?
The InChIKey is STOXUFIZKANFCI-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H24N2O/c1-20(28)19-24(26-17-18-27-24)25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18,20,28H,19H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-1-(2-tritylimidazol-2-yl)propan-2-ol?
(2S)-1-(2-tritylimidazol-2-yl)propan-2-ol has a molecular weight of 368.48 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-tritylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 67700682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).