2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide

C28H26ClF2N3O2 — CID 68697378

IUPAC2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(OC(F)F)cc1)n1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C28H26ClF2N3O2/c29-20-14-10-19(11-15-20)26-33-23-8-4-5-9-24(23)34(26)25(27(35)32-21-6-2-1-3-7-21)18-12-16-22(17-13-18)36-28(30)31/h4-5,8-17,21,25,28H,1-3,6-7H2,(H,32,35)
InChIKeyJQMXEMVBLCFDRF-UHFFFAOYSA-N
MW509.98 g/mol
LogP7.00
Rot. Bonds7

About 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 68697378) has the molecular formula C28H26ClF2N3O2 and a molecular weight of 509.98 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID68697378
Molecular FormulaC28H26ClF2N3O2
Molecular Weight509.98 g/mol
Exact Mass509.17
IUPAC Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(OC(F)F)cc1)n1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C28H26ClF2N3O2/c29-20-14-10-19(11-15-20)26-33-23-8-4-5-9-24(23)34(26)25(27(35)32-21-6-2-1-3-7-21)18-12-16-22(17-13-18)36-28(30)31/h4-5,8-17,21,25,28H,1-3,6-7H2,(H,32,35)
InChIKeyJQMXEMVBLCFDRF-UHFFFAOYSA-N
XLogP7.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.98
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide (CID 68697378) is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide is O=C(NC1CCCCC1)C(c1ccc(OC(F)F)cc1)n1c(-c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is JQMXEMVBLCFDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClF2N3O2/c29-20-14-10-19(11-15-20)26-33-23-8-4-5-9-24(23)34(26)25(27(35)32-21-6-2-1-3-7-21)18-12-16-22(17-13-18)36-28(30)31/h4-5,8-17,21,25,28H,1-3,6-7H2,(H,32,35).
What are the key properties of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide?
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 509.98 g/mol, XLogP of 7.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 68697378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).