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

C26H22F3N3O2S — CID 20595821

IUPAC1-(4-methylnaphthalen-1-yl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)CC2)c2ccccc12
InChIInChI=1S/C26H22F3N3O2S/c1-17-9-10-24(22-8-3-2-7-21(17)22)35(33,34)32-13-11-18(12-14-32)25-30-16-23(31-25)19-5-4-6-20(15-19)26(27,28)29/h2-11,15-16H,12-14H2,1H3,(H,30,31)
InChIKeyOVAPIXPBWFBZNG-UHFFFAOYSA-N
MW497.54 g/mol
LogP6.04
Rot. Bonds4

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

1-(4-methylnaphthalen-1-yl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine (PubChem CID 20595821) has the molecular formula C26H22F3N3O2S and a molecular weight of 497.54 g/mol. Its IUPAC name is 1-(4-methylnaphthalen-1-yl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(4-methylnaphthalen-1-yl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine
PubChem CID20595821
Molecular FormulaC26H22F3N3O2S
Molecular Weight497.54 g/mol
Exact Mass497.14
IUPAC Name1-(4-methylnaphthalen-1-yl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)CC2)c2ccccc12
InChIInChI=1S/C26H22F3N3O2S/c1-17-9-10-24(22-8-3-2-7-21(17)22)35(33,34)32-13-11-18(12-14-32)25-30-16-23(31-25)19-5-4-6-20(15-19)26(27,28)29/h2-11,15-16H,12-14H2,1H3,(H,30,31)
InChIKeyOVAPIXPBWFBZNG-UHFFFAOYSA-N
XLogP6.04
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.54
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-Tri-substituted imidazole, 6b
CID 24825345
N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
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N-{2-[5-(4-fluorophenyl)-2-phenyl-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
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N-(benzenesulfonyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
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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
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5-[2-fluoro-4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylphenyl]phenyl]pyrazin-2-amine
CID 90314179
3-[4-(2-amino-3-methyl-imidazol-4-yl)phenyl]-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823671
N-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide
CID 10021248
N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]naphthalene-2-sulfonamide
CID 11338630

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylnaphthalen-1-yl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(4-methylnaphthalen-1-yl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine (CID 20595821) is 1-(4-methylnaphthalen-1-yl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(4-methylnaphthalen-1-yl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(4-methylnaphthalen-1-yl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine is Cc1ccc(S(=O)(=O)N2CC=C(c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)CC2)c2ccccc12.
What is the InChIKey of 1-(4-methylnaphthalen-1-yl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine?
The InChIKey is OVAPIXPBWFBZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O2S/c1-17-9-10-24(22-8-3-2-7-21(17)22)35(33,34)32-13-11-18(12-14-32)25-30-16-23(31-25)19-5-4-6-20(15-19)26(27,28)29/h2-11,15-16H,12-14H2,1H3,(H,30,31).
What are the key properties of 1-(4-methylnaphthalen-1-yl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine?
1-(4-methylnaphthalen-1-yl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine has a molecular weight of 497.54 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylnaphthalen-1-yl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 20595821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).