4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol

C33H31ClN2O2 — CID 22924003

IUPAC4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol
SMILESCOc1ccc(Cl)c(CCCC(O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1
InChIInChI=1S/C33H31ClN2O2/c1-38-29-20-21-30(34)25(22-29)12-11-19-32(37)31-23-36(24-35-31)33(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,13-18,20-24,32,37H,11-12,19H2,1H3
InChIKeySOBGJKNYGPKALQ-UHFFFAOYSA-N
MW523.08 g/mol
LogP7.44
Rot. Bonds10

About 4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol

4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol (PubChem CID 22924003) has the molecular formula C33H31ClN2O2 and a molecular weight of 523.08 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol
PubChem CID22924003
Molecular FormulaC33H31ClN2O2
Molecular Weight523.08 g/mol
Exact Mass522.21
IUPAC Name4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol
SMILESCOc1ccc(Cl)c(CCCC(O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1
InChIInChI=1S/C33H31ClN2O2/c1-38-29-20-21-30(34)25(22-29)12-11-19-32(37)31-23-36(24-35-31)33(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,13-18,20-24,32,37H,11-12,19H2,1H3
InChIKeySOBGJKNYGPKALQ-UHFFFAOYSA-N
XLogP7.44
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.08
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol?
The IUPAC name of 4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol (CID 22924003) is 4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol.
What is the SMILES notation for 4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol?
The canonical SMILES for 4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol is COc1ccc(Cl)c(CCCC(O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1.
What is the InChIKey of 4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol?
The InChIKey is SOBGJKNYGPKALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31ClN2O2/c1-38-29-20-21-30(34)25(22-29)12-11-19-32(37)31-23-36(24-35-31)33(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,13-18,20-24,32,37H,11-12,19H2,1H3.
What are the key properties of 4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol?
4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol has a molecular weight of 523.08 g/mol, XLogP of 7.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methoxyphenyl)-1-(1-tritylimidazol-4-yl)butan-1-ol is sourced from PubChem (CID 22924003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).