1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

C74H69N7O10S4 — CID 158669467

IUPAC1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCC(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.CS(=O)(=O)Nc1ccccc1-c1ccc2nc(C3CC3c3ccc(S(C)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C25H24N2O3S.C25H22N2O3S.C24H23N3O4S2/c2*1-15(28)19-5-3-4-6-20(19)17-9-12-23-24(13-17)27-25(26-23)22-14-21(22)16-7-10-18(11-8-16)31(2,29)30;1-32(28,29)17-10-7-15(8-11-17)19-14-20(19)24-25-22-12-9-16(13-23(22)26-24)18-5-3-4-6-21(18)27-33(2,30)31/h3-13,15,21-22,28H,14H2,1-2H3,(H,26,27);3-13,21-22H,14H2,1-2H3,(H,26,27);3-13,19-20,27H,14H2,1-2H3,(H,25,26)
InChIKeyIDTQTPZOSBXSMD-UHFFFAOYSA-N
MW1344.67 g/mol
LogP14.34
Rot. Bonds16

About 1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (PubChem CID 158669467) has the molecular formula C74H69N7O10S4 and a molecular weight of 1344.67 g/mol. Its IUPAC name is 1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
PubChem CID158669467
Molecular FormulaC74H69N7O10S4
Molecular Weight1344.67 g/mol
Exact Mass1343.40
IUPAC Name1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCC(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.CS(=O)(=O)Nc1ccccc1-c1ccc2nc(C3CC3c3ccc(S(C)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C25H24N2O3S.C25H22N2O3S.C24H23N3O4S2/c2*1-15(28)19-5-3-4-6-20(19)17-9-12-23-24(13-17)27-25(26-23)22-14-21(22)16-7-10-18(11-8-16)31(2,29)30;1-32(28,29)17-10-7-15(8-11-17)19-14-20(19)24-25-22-12-9-16(13-23(22)26-24)18-5-3-4-6-21(18)27-33(2,30)31/h3-13,15,21-22,28H,14H2,1-2H3,(H,26,27);3-13,21-22H,14H2,1-2H3,(H,26,27);3-13,19-20,27H,14H2,1-2H3,(H,25,26)
InChIKeyIDTQTPZOSBXSMD-UHFFFAOYSA-N
XLogP14.34
TPSA271.93 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001344.67
LogP ≤ 514.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

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Related Compounds

1-[2-[2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 123387626
2-[2-[2-(4-methylsulfonylphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(4-methylsulfonylphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 123666184
N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethyl]phenyl]-1,1,1-trifluoromethanesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide
CID 157219034
1-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethynyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethynyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 157396407
N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]-1,1,1-trifluoromethanesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide
CID 157404157
1-[4-[(E)-2-[6-[2-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]ethanone;5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;5-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 157425561
2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 157619341
N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;1,1,1-trifluoro-N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide
CID 157777999
2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 157940956
1,1,1-trifluoro-N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]cyclopropyl]phenyl]methanesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]cyclopropyl]phenyl]methanesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(methanesulfonamido)phenyl]-1H-benzimidazol-2-yl]cyclopropyl]phenyl]methanesulfonamide
CID 157956939
1-[2-[2-[(E)-2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1,1,1-trifluoro-N-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 157963546
2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol
CID 158212842

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of 1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (CID 158669467) is 1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for 1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for 1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is CC(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.CS(=O)(=O)Nc1ccccc1-c1ccc2nc(C3CC3c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.
What is the InChIKey of 1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is IDTQTPZOSBXSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S.C25H22N2O3S.C24H23N3O4S2/c2*1-15(28)19-5-3-4-6-20(19)17-9-12-23-24(13-17)27-25(26-23)22-14-21(22)16-7-10-18(11-8-16)31(2,29)30;1-32(28,29)17-10-7-15(8-11-17)19-14-20(19)24-25-22-12-9-16(13-23(22)26-24)18-5-3-4-6-21(18)27-33(2,30)31/h3-13,15,21-22,28H,14H2,1-2H3,(H,26,27);3-13,21-22H,14H2,1-2H3,(H,26,27);3-13,19-20,27H,14H2,1-2H3,(H,25,26).
What are the key properties of 1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 1344.67 g/mol, XLogP of 14.34, 16 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 158669467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).