1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole

C18H18N2O3S — CID 110536342

IUPAC1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole
SMILESCC(C)Oc1ccc(-c2nccn2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3S/c1-14(2)23-16-10-8-15(9-11-16)18-19-12-13-20(18)24(21,22)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyKJWDXUSPBSJOOU-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.57
Rot. Bonds5

About 1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole

1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole (PubChem CID 110536342) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole
PubChem CID110536342
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole
SMILESCC(C)Oc1ccc(-c2nccn2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3S/c1-14(2)23-16-10-8-15(9-11-16)18-19-12-13-20(18)24(21,22)17-6-4-3-5-7-17/h3-14H,1-2H3
InChIKeyKJWDXUSPBSJOOU-UHFFFAOYSA-N
XLogP3.57
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole
CID 110537183
1-(benzenesulfonyl)-2-[4-(3-phenylpropoxy)phenyl]imidazole
CID 110531347
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole
CID 110538672
1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole
CID 110531048
1-ethyl-2-(4-propan-2-yloxyphenyl)imidazole
CID 110540542
1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole
CID 110534917
1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole
CID 110532187
1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine
CID 110868064
1-(benzenesulfonyl)-2-(4-ethoxy-3-nitrophenyl)imidazole
CID 110534191
2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110532647
1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole
CID 110535227

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole (CID 110536342) is 1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole is CC(C)Oc1ccc(-c2nccn2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole?
The InChIKey is KJWDXUSPBSJOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-14(2)23-16-10-8-15(9-11-16)18-19-12-13-20(18)24(21,22)17-6-4-3-5-7-17/h3-14H,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole?
1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole has a molecular weight of 342.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole is sourced from PubChem (CID 110536342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).