2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol

C26H23Cl3N2O3S — CID 59251562

IUPAC2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)c(Cc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C26H23Cl3N2O3S/c1-26(2,32)23-15-31(24(30-23)14-18-7-5-9-20(27)25(18)29)22-11-10-17(13-21(22)28)16-6-4-8-19(12-16)35(3,33)34/h4-13,15,32H,14H2,1-3H3
InChIKeyFEPSISCVZWUJOZ-UHFFFAOYSA-N
MW549.91 g/mol
LogP6.72
Rot. Bonds6

About 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol

2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251562) has the molecular formula C26H23Cl3N2O3S and a molecular weight of 549.91 g/mol. Its IUPAC name is 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol
PubChem CID59251562
Molecular FormulaC26H23Cl3N2O3S
Molecular Weight549.91 g/mol
Exact Mass548.05
IUPAC Name2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)c(Cc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C26H23Cl3N2O3S/c1-26(2,32)23-15-31(24(30-23)14-18-7-5-9-20(27)25(18)29)22-11-10-17(13-21(22)28)16-6-4-8-19(12-16)35(3,33)34/h4-13,15,32H,14H2,1-3H3
InChIKeyFEPSISCVZWUJOZ-UHFFFAOYSA-N
XLogP6.72
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.91
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol (CID 59251562) is 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)c(Cc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol?
The InChIKey is FEPSISCVZWUJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl3N2O3S/c1-26(2,32)23-15-31(24(30-23)14-18-7-5-9-20(27)25(18)29)22-11-10-17(13-21(22)28)16-6-4-8-19(12-16)35(3,33)34/h4-13,15,32H,14H2,1-3H3.
What are the key properties of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol?
2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol has a molecular weight of 549.91 g/mol, XLogP of 6.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).