2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)acetamide

C28H27ClFN3O2 — CID 68698544

IUPAC2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)acetamide
SMILESCOc1ccc(F)c(C(C(=O)NC2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3ccccc32)c1
InChIInChI=1S/C28H27ClFN3O2/c1-35-21-15-16-23(30)22(17-21)26(28(34)31-20-7-3-2-4-8-20)33-25-10-6-5-9-24(25)32-27(33)18-11-13-19(29)14-12-18/h5-6,9-17,20,26H,2-4,7-8H2,1H3,(H,31,34)
InChIKeyBYRDFGCPPFNONE-UHFFFAOYSA-N
MW491.99 g/mol
LogP6.54
Rot. Bonds6

About 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)acetamide

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)acetamide (PubChem CID 68698544) has the molecular formula C28H27ClFN3O2 and a molecular weight of 491.99 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)acetamide
PubChem CID68698544
Molecular FormulaC28H27ClFN3O2
Molecular Weight491.99 g/mol
Exact Mass491.18
IUPAC Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)acetamide
SMILESCOc1ccc(F)c(C(C(=O)NC2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3ccccc32)c1
InChIInChI=1S/C28H27ClFN3O2/c1-35-21-15-16-23(30)22(17-21)26(28(34)31-20-7-3-2-4-8-20)33-25-10-6-5-9-24(25)32-27(33)18-11-13-19(29)14-12-18/h5-6,9-17,20,26H,2-4,7-8H2,1H3,(H,31,34)
InChIKeyBYRDFGCPPFNONE-UHFFFAOYSA-N
XLogP6.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.99
LogP ≤ 56.54
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-(2-fluoro-5-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)acetamide (CID 68698544) is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)acetamide is COc1ccc(F)c(C(C(=O)NC2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3ccccc32)c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)acetamide?
The InChIKey is BYRDFGCPPFNONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClFN3O2/c1-35-21-15-16-23(30)22(17-21)26(28(34)31-20-7-3-2-4-8-20)33-25-10-6-5-9-24(25)32-27(33)18-11-13-19(29)14-12-18/h5-6,9-17,20,26H,2-4,7-8H2,1H3,(H,31,34).
What are the key properties of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)acetamide?
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)acetamide has a molecular weight of 491.99 g/mol, XLogP of 6.54, 6 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-(2-fluoro-5-methoxyphenyl)acetamide is sourced from PubChem (CID 68698544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).