[4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol

C27H21ClN2O3S — CID 141164474

IUPAC[4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol
SMILESCS(=O)(=O)c1cc(-c2ccc(-n3ccnc3-c3cccc4ccccc34)c(Cl)c2)ccc1CO
InChIInChI=1S/C27H21ClN2O3S/c1-34(32,33)26-16-20(9-10-21(26)17-31)19-11-12-25(24(28)15-19)30-14-13-29-27(30)23-8-4-6-18-5-2-3-7-22(18)23/h2-16,31H,17H2,1H3
InChIKeyBILUXWAAKSYFRQ-UHFFFAOYSA-N
MW489.00 g/mol
LogP5.91
Rot. Bonds5

About [4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol

[4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol (PubChem CID 141164474) has the molecular formula C27H21ClN2O3S and a molecular weight of 489.00 g/mol. Its IUPAC name is [4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol.

Molecular Properties

Compound Name[4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol
PubChem CID141164474
Molecular FormulaC27H21ClN2O3S
Molecular Weight489.00 g/mol
Exact Mass488.10
IUPAC Name[4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol
SMILESCS(=O)(=O)c1cc(-c2ccc(-n3ccnc3-c3cccc4ccccc34)c(Cl)c2)ccc1CO
InChIInChI=1S/C27H21ClN2O3S/c1-34(32,33)26-16-20(9-10-21(26)17-31)19-11-12-25(24(28)15-19)30-14-13-29-27(30)23-8-4-6-18-5-2-3-7-22(18)23/h2-16,31H,17H2,1H3
InChIKeyBILUXWAAKSYFRQ-UHFFFAOYSA-N
XLogP5.91
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.00
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-chloro-4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]-2-(2-chlorophenyl)imidazol-4-yl]propan-2-ol
CID 59251429
1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole
CID 141164393
2-[2-(3-chloro-2-methylphenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]-2-methylphenyl]imidazol-4-yl]propan-2-ol
CID 59251571
2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole
CID 141164353
2-[1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251214
2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
CID 59251663
1,2-dichloro-4-(2-methylsulfonylphenyl)benzene
CID 57061474
[2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol
CID 66693225
1-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-4-hydroxybutan-1-one
CID 158334789
[4-[3-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methyl-1,3-oxazol-5-yl]-4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]methanol
CID 90447084
2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol
CID 59251562
2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-[3-ethylsulfonyl-4-(hydroxymethyl)phenyl]phenyl]imidazol-4-yl]propan-2-ol
CID 59251349

Frequently Asked Questions

What is the IUPAC name of [4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol?
The IUPAC name of [4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol (CID 141164474) is [4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol.
What is the SMILES notation for [4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol?
The canonical SMILES for [4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol is CS(=O)(=O)c1cc(-c2ccc(-n3ccnc3-c3cccc4ccccc34)c(Cl)c2)ccc1CO.
What is the InChIKey of [4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol?
The InChIKey is BILUXWAAKSYFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN2O3S/c1-34(32,33)26-16-20(9-10-21(26)17-31)19-11-12-25(24(28)15-19)30-14-13-29-27(30)23-8-4-6-18-5-2-3-7-22(18)23/h2-16,31H,17H2,1H3.
What are the key properties of [4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol?
[4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol has a molecular weight of 489.00 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol is sourced from PubChem (CID 141164474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).