1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine

C67H57F9N10OS2 — CID 142070520

IUPAC1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine
SMILESCc1ccc(SN2CC=C(c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)CC2)cc1.FC(F)(F)c1cccc(-c2cnc(C3=CCN(c4ccccn4)CC3)[nH]2)c1.O=S(c1cccc2ccccc12)N1CC=C(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C25H20F3N3OS.C22H20F3N3S.C20H17F3N4/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;1-15-5-7-19(8-6-15)29-28-11-9-16(10-12-28)21-26-14-20(27-21)17-3-2-4-18(13-17)22(23,24)25;21-20(22,23)16-5-3-4-15(12-16)17-13-25-19(26-17)14-7-10-27(11-8-14)18-6-1-2-9-24-18/h1-11,15-16H,12-14H2,(H,29,30);2-9,13-14H,10-12H2,1H3,(H,26,27);1-7,9,12-13H,8,10-11H2,(H,25,26)
InChIKeyBKMXPBCCNRSOIF-UHFFFAOYSA-N
MW1253.38 g/mol
LogP17.05
Rot. Bonds11

About 1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine

1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine (PubChem CID 142070520) has the molecular formula C67H57F9N10OS2 and a molecular weight of 1253.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine
PubChem CID142070520
Molecular FormulaC67H57F9N10OS2
Molecular Weight1253.38 g/mol
Exact Mass1252.40
IUPAC Name1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine
SMILESCc1ccc(SN2CC=C(c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)CC2)cc1.FC(F)(F)c1cccc(-c2cnc(C3=CCN(c4ccccn4)CC3)[nH]2)c1.O=S(c1cccc2ccccc12)N1CC=C(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C25H20F3N3OS.C22H20F3N3S.C20H17F3N4/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;1-15-5-7-19(8-6-15)29-28-11-9-16(10-12-28)21-26-14-20(27-21)17-3-2-4-18(13-17)22(23,24)25;21-20(22,23)16-5-3-4-15(12-16)17-13-25-19(26-17)14-7-10-27(11-8-14)18-6-1-2-9-24-18/h1-11,15-16H,12-14H2,(H,29,30);2-9,13-14H,10-12H2,1H3,(H,26,27);1-7,9,12-13H,8,10-11H2,(H,25,26)
InChIKeyBKMXPBCCNRSOIF-UHFFFAOYSA-N
XLogP17.05
TPSA125.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001253.38
LogP ≤ 517.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine with MolForge

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Related Compounds

1-naphthalen-1-ylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine
CID 10140812
1-naphthalen-1-ylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 12114511
1-(4-methylnaphthalen-1-yl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine
CID 20595821
1-naphthalen-1-ylsulfinyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine
CID 142070521
7-[3-[2-[4-(4-fluorophenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-3,5,6,7-tetrahydro-2H-1,4-benzodiazepin-2-yl]ethyl]phenyl]-1-(1H-imidazol-5-ylmethyl)-4-isoquinolin-6-ylsulfonyl-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 143199574
methane;1-(4-methylphenyl)sulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine;1-naphthalen-1-ylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridine;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine
CID 159533074
2-(3-Ethylsulfanylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfinylnaphthalen-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 159936623
bis(4-[[4-(1,1-difluoroethyl)cyclohexyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide);4-[(2,6-difluorophenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide
CID 163820109
2-[4-[5-[3-(trifluoromethyl)-5-[4-[[4-[5-[3-(trifluoromethyl)-5-[[4-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]sulfonylphenyl]methyl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]naphthalen-1-yl]phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine
CID 149156637
5,10-bis(2-ethyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole
CID 88361851
5,10-bis(2-propan-2-yl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole
CID 89945299
5,10-bis(2-methyl-1H-imidazol-5-yl)phenanthro[9,10-d][1,2]thiazole
CID 134269731

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine?
The IUPAC name of 1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine (CID 142070520) is 1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine.
What is the SMILES notation for 1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine?
The canonical SMILES for 1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine is Cc1ccc(SN2CC=C(c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)CC2)cc1.FC(F)(F)c1cccc(-c2cnc(C3=CCN(c4ccccn4)CC3)[nH]2)c1.O=S(c1cccc2ccccc12)N1CC=C(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.
What is the InChIKey of 1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine?
The InChIKey is BKMXPBCCNRSOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3OS.C22H20F3N3S.C20H17F3N4/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;1-15-5-7-19(8-6-15)29-28-11-9-16(10-12-28)21-26-14-20(27-21)17-3-2-4-18(13-17)22(23,24)25;21-20(22,23)16-5-3-4-15(12-16)17-13-25-19(26-17)14-7-10-27(11-8-14)18-6-1-2-9-24-18/h1-11,15-16H,12-14H2,(H,29,30);2-9,13-14H,10-12H2,1H3,(H,26,27);1-7,9,12-13H,8,10-11H2,(H,25,26).
What are the key properties of 1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine?
1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine has a molecular weight of 1253.38 g/mol, XLogP of 17.05, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfanyl-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;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]pyridine is sourced from PubChem (CID 142070520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).