1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole

C20H16N2O2S — CID 100722139

IUPAC1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole
SMILESO=S(=O)(Cc1ccc(-n2ccnc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H16N2O2S/c23-25(24,20-10-7-17-3-1-2-4-18(17)13-20)14-16-5-8-19(9-6-16)22-12-11-21-15-22/h1-13,15H,14H2
InChIKeyJIUJZHIDPGMGGD-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.00
Rot. Bonds4

About 1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole

1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole (PubChem CID 100722139) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole.

Molecular Properties

Compound Name1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole
PubChem CID100722139
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole
SMILESO=S(=O)(Cc1ccc(-n2ccnc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H16N2O2S/c23-25(24,20-10-7-17-3-1-2-4-18(17)13-20)14-16-5-8-19(9-6-16)22-12-11-21-15-22/h1-13,15H,14H2
InChIKeyJIUJZHIDPGMGGD-UHFFFAOYSA-N
XLogP4.00
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-2-ylimidazole
CID 23644748
2-(4-imidazol-1-ylphenyl)-N-naphthalen-2-ylsulfonyl-3-phenylpropanamide
CID 142054348
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide
CID 57242122
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 41139085
(4-imidazol-1-ylphenyl)methyl-methylazanium
CID 7157370
N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline
CID 75385215
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
3-(4-imidazol-1-ylphenyl)-2-oxo-1-phenylpropane-1-sulfonic acid
CID 149457526
N-methyl-4-[4-(naphthalen-2-ylsulfonylmethyl)phenoxy]pyridine-2-carboxamide
CID 147737582
1-(4-prop-2-enylphenyl)imidazole
CID 55274314

Frequently Asked Questions

What is the IUPAC name of 1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole?
The IUPAC name of 1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole (CID 100722139) is 1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole.
What is the SMILES notation for 1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole?
The canonical SMILES for 1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole is O=S(=O)(Cc1ccc(-n2ccnc2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole?
The InChIKey is JIUJZHIDPGMGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-25(24,20-10-7-17-3-1-2-4-18(17)13-20)14-16-5-8-19(9-6-16)22-12-11-21-15-22/h1-13,15H,14H2.
What are the key properties of 1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole?
1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole has a molecular weight of 348.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole is sourced from PubChem (CID 100722139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).