1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one

C21H18N2O3S — CID 8594078

IUPAC1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one
SMILESCc1ccc(S(=O)(=O)n2ccn(Cc3cccc4ccccc34)c2=O)cc1
InChIInChI=1S/C21H18N2O3S/c1-16-9-11-19(12-10-16)27(25,26)23-14-13-22(21(23)24)15-18-7-4-6-17-5-2-3-8-20(17)18/h2-14H,15H2,1H3
InChIKeyFGKQBPDSHPTLQS-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.40
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one

1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one (PubChem CID 8594078) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one
PubChem CID8594078
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one
SMILESCc1ccc(S(=O)(=O)n2ccn(Cc3cccc4ccccc34)c2=O)cc1
InChIInChI=1S/C21H18N2O3S/c1-16-9-11-19(12-10-16)27(25,26)23-14-13-22(21(23)24)15-18-7-4-6-17-5-2-3-8-20(17)18/h2-14H,15H2,1H3
InChIKeyFGKQBPDSHPTLQS-UHFFFAOYSA-N
XLogP3.40
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8594086
1-(4-methylphenyl)sulfonyl-3-[(3-nitrophenyl)methyl]imidazol-2-one
CID 8594079
5-methyl-1-(naphthalen-1-ylmethyl)indole
CID 110831307
4-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 13044879
2-[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 8594164
2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]acetaldehyde
CID 89416848
1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593806
(NE)-4-methyl-N-[methyl(naphthalen-1-ylmethyl)-λ4-sulfanylidene]benzenesulfonamide
CID 15973622
13,18-bis-(4-methylphenyl)sulfonyl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene
CID 177415197
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 18569068

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one (CID 8594078) is 1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one is Cc1ccc(S(=O)(=O)n2ccn(Cc3cccc4ccccc34)c2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one?
The InChIKey is FGKQBPDSHPTLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-16-9-11-19(12-10-16)27(25,26)23-14-13-22(21(23)24)15-18-7-4-6-17-5-2-3-8-20(17)18/h2-14H,15H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one?
1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one has a molecular weight of 378.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-(naphthalen-1-ylmethyl)imidazol-2-one is sourced from PubChem (CID 8594078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).