1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine

C25H20F3N3OS — CID 142070521

IUPAC1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine
SMILESO=S(c1cccc2ccccc12)N1CC=C(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C25H20F3N3OS/c26-25(27,28)20-8-3-7-19(15-20)22-16-29-24(30-22)18-11-13-31(14-12-18)33(32)23-10-4-6-17-5-1-2-9-21(17)23/h1-11,15-16H,12-14H2,(H,29,30)
InChIKeyKHOOAQIKWHJIQR-UHFFFAOYSA-N
MW467.52 g/mol
LogP6.06
Rot. Bonds4

About 1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine

1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine (PubChem CID 142070521) has the molecular formula C25H20F3N3OS and a molecular weight of 467.52 g/mol. Its IUPAC name is 1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine
PubChem CID142070521
Molecular FormulaC25H20F3N3OS
Molecular Weight467.52 g/mol
Exact Mass467.13
IUPAC Name1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine
SMILESO=S(c1cccc2ccccc12)N1CC=C(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C25H20F3N3OS/c26-25(27,28)20-8-3-7-19(15-20)22-16-29-24(30-22)18-11-13-31(14-12-18)33(32)23-10-4-6-17-5-1-2-9-21(17)23/h1-11,15-16H,12-14H2,(H,29,30)
InChIKeyKHOOAQIKWHJIQR-UHFFFAOYSA-N
XLogP6.06
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
CID 10151762
4-(4-(4-Fluorophenyl)-2-(naphthalen-1-yl)-1H-imidazol-5-yl)pyridine
CID 9998923
N-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
CID 10217416
4-(2-(4-(methylsulfinyl)phenyl)-4-(naphthalen-2-yl)-1H-imidazol-5-yl)pyridine
CID 10309830
N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
CID 10310958
1-(3H-Imidazol-4-ylmethyl)-4-(naphthalene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
CID 10549950
4-[2-(1-fluoronaphthalen-2-yl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine
CID 71625803
5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine
CID 90314179
N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide
CID 11338630
1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylsulfonyl-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 44265273
4-(4-(6-methylnaphthalen-2-yl)-2-(4-(methylsulfinyl)phenyl)-1H-imidazol-5-yl)pyridine
CID 44433314
4-fluoro-1-(2-(4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)benzyl)piperidine
CID 53322599

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine (CID 142070521) is 1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine is O=S(c1cccc2ccccc12)N1CC=C(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.
What is the InChIKey of 1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine?
The InChIKey is KHOOAQIKWHJIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3OS/c26-25(27,28)20-8-3-7-19(15-20)22-16-29-24(30-22)18-11-13-31(14-12-18)33(32)23-10-4-6-17-5-1-2-9-21(17)23/h1-11,15-16H,12-14H2,(H,29,30).
What are the key properties of 1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine?
1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine has a molecular weight of 467.52 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 142070521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).