N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide

C65H47Cl2F4N11O3S3 — CID 160870434

IUPACN-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1cccc(CSc2cnccn2)c1.O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(CSc2cnccn2)c1.O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(CSc2cnccn2)c1
InChIInChI=1S/C25H19N3OS.C21H15Cl2N5OS.C19H13F4N3OS/c29-25(19-6-3-4-17(12-19)16-30-24-15-26-10-11-27-24)28-21-8-9-23-20(14-21)13-18-5-1-2-7-22(18)23;22-19-20(23)28(13-26-19)17-6-4-16(5-7-17)27-21(29)15-3-1-2-14(10-15)12-30-18-11-24-8-9-25-18;20-16-5-4-14(9-15(16)19(21,22)23)26-18(27)13-3-1-2-12(8-13)11-28-17-10-24-6-7-25-17/h1-12,14-15H,13,16H2,(H,28,29);1-11,13H,12H2,(H,27,29);1-10H,11H2,(H,26,27)
InChIKeySLRIQRSRTNCDHI-UHFFFAOYSA-N
MW1273.26 g/mol
LogP16.29
Rot. Bonds16

About N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide

N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide (PubChem CID 160870434) has the molecular formula C65H47Cl2F4N11O3S3 and a molecular weight of 1273.26 g/mol. Its IUPAC name is N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
PubChem CID160870434
Molecular FormulaC65H47Cl2F4N11O3S3
Molecular Weight1273.26 g/mol
Exact Mass1271.23
IUPAC NameN-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1cccc(CSc2cnccn2)c1.O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(CSc2cnccn2)c1.O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(CSc2cnccn2)c1
InChIInChI=1S/C25H19N3OS.C21H15Cl2N5OS.C19H13F4N3OS/c29-25(19-6-3-4-17(12-19)16-30-24-15-26-10-11-27-24)28-21-8-9-23-20(14-21)13-18-5-1-2-7-22(18)23;22-19-20(23)28(13-26-19)17-6-4-16(5-7-17)27-21(29)15-3-1-2-14(10-15)12-30-18-11-24-8-9-25-18;20-16-5-4-14(9-15(16)19(21,22)23)26-18(27)13-3-1-2-12(8-13)11-28-17-10-24-6-7-25-17/h1-12,14-15H,13,16H2,(H,28,29);1-11,13H,12H2,(H,27,29);1-10H,11H2,(H,26,27)
InChIKeySLRIQRSRTNCDHI-UHFFFAOYSA-N
XLogP16.29
TPSA182.46 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001273.26
LogP ≤ 516.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide with MolForge

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Related Compounds

N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597661
3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 20597448
N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597642
N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597650
N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597621
N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 10278221
N-(6-methoxy-3-pyridinyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597736
3-chloro-N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 23096582
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597673
N-(9H-fluoren-2-yl)pyridine-2-carboxamide
CID 24637018
N-(3-chloro-4-fluorophenyl)-3-pyridin-4-yloxybenzamide
CID 91103914
2-(4-chlorophenyl)sulfanyl-N-(9H-fluoren-2-yl)acetamide
CID 1284497

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide (CID 160870434) is N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide is O=C(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1cccc(CSc2cnccn2)c1.O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(CSc2cnccn2)c1.O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(CSc2cnccn2)c1.
What is the InChIKey of N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The InChIKey is SLRIQRSRTNCDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3OS.C21H15Cl2N5OS.C19H13F4N3OS/c29-25(19-6-3-4-17(12-19)16-30-24-15-26-10-11-27-24)28-21-8-9-23-20(14-21)13-18-5-1-2-7-22(18)23;22-19-20(23)28(13-26-19)17-6-4-16(5-7-17)27-21(29)15-3-1-2-14(10-15)12-30-18-11-24-8-9-25-18;20-16-5-4-14(9-15(16)19(21,22)23)26-18(27)13-3-1-2-12(8-13)11-28-17-10-24-6-7-25-17/h1-12,14-15H,13,16H2,(H,28,29);1-11,13H,12H2,(H,27,29);1-10H,11H2,(H,26,27).
What are the key properties of N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide has a molecular weight of 1273.26 g/mol, XLogP of 16.29, 16 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 160870434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).