1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol

C69H64Cl3N7O4S — CID 161445638

IUPAC1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1.CS(=O)(=O)Nc1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C24H23ClN2O.C23H21ClN2O.C22H20ClN3O2S/c1-24(2,28)20-6-4-3-5-19(20)17-10-13-21-22(15-17)27-23(26-21)14-9-16-7-11-18(25)12-8-16;1-15(27)19-4-2-3-5-20(19)17-9-12-21-22(14-17)26-23(25-21)13-8-16-6-10-18(24)11-7-16;1-29(27,28)26-19-5-3-2-4-18(19)16-9-12-20-21(14-16)25-22(24-20)13-8-15-6-10-17(23)11-7-15/h3-8,10-13,15,28H,9,14H2,1-2H3,(H,26,27);2-7,9-12,14-15,27H,8,13H2,1H3,(H,25,26);2-7,9-12,14,26H,8,13H2,1H3,(H,24,25)
InChIKeyVZVXGPBJHFSMRN-UHFFFAOYSA-N
MW1193.74 g/mol
LogP16.66
Rot. Bonds16

About 1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol

1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol (PubChem CID 161445638) has the molecular formula C69H64Cl3N7O4S and a molecular weight of 1193.74 g/mol. Its IUPAC name is 1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
PubChem CID161445638
Molecular FormulaC69H64Cl3N7O4S
Molecular Weight1193.74 g/mol
Exact Mass1191.38
IUPAC Name1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1.CS(=O)(=O)Nc1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C24H23ClN2O.C23H21ClN2O.C22H20ClN3O2S/c1-24(2,28)20-6-4-3-5-19(20)17-10-13-21-22(15-17)27-23(26-21)14-9-16-7-11-18(25)12-8-16;1-15(27)19-4-2-3-5-20(19)17-9-12-21-22(14-17)26-23(25-21)13-8-16-6-10-18(24)11-7-16;1-29(27,28)26-19-5-3-2-4-18(19)16-9-12-20-21(14-16)25-22(24-20)13-8-15-6-10-17(23)11-7-15/h3-8,10-13,15,28H,9,14H2,1-2H3,(H,26,27);2-7,9-12,14-15,27H,8,13H2,1H3,(H,25,26);2-7,9-12,14,26H,8,13H2,1H3,(H,24,25)
InChIKeyVZVXGPBJHFSMRN-UHFFFAOYSA-N
XLogP16.66
TPSA172.67 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001193.74
LogP ≤ 516.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The IUPAC name of 1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol (CID 161445638) is 1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The canonical SMILES for 1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol is CC(C)(O)c1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1.CS(=O)(=O)Nc1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1.
What is the InChIKey of 1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The InChIKey is VZVXGPBJHFSMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O.C23H21ClN2O.C22H20ClN3O2S/c1-24(2,28)20-6-4-3-5-19(20)17-10-13-21-22(15-17)27-23(26-21)14-9-16-7-11-18(25)12-8-16;1-15(27)19-4-2-3-5-20(19)17-9-12-21-22(14-17)26-23(25-21)13-8-16-6-10-18(24)11-7-16;1-29(27,28)26-19-5-3-2-4-18(19)16-9-12-20-21(14-16)25-22(24-20)13-8-15-6-10-17(23)11-7-15/h3-8,10-13,15,28H,9,14H2,1-2H3,(H,26,27);2-7,9-12,14-15,27H,8,13H2,1H3,(H,25,26);2-7,9-12,14,26H,8,13H2,1H3,(H,24,25).
What are the key properties of 1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol has a molecular weight of 1193.74 g/mol, XLogP of 16.66, 16 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol is sourced from PubChem (CID 161445638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).