N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide

C27H24ClF2N3O — CID 66619313

IUPACN-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide
SMILESO=C(NCc1ccccc1)C(C1CCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21
InChIInChI=1S/C27H24ClF2N3O/c28-20-12-10-19(11-13-20)26-32-23-14-21(29)22(30)15-24(23)33(26)25(18-8-4-5-9-18)27(34)31-16-17-6-2-1-3-7-17/h1-3,6-7,10-15,18,25H,4-5,8-9,16H2,(H,31,34)
InChIKeyHEFILNQPRZZNOR-UHFFFAOYSA-N
MW479.96 g/mol
LogP6.68
Rot. Bonds6

About N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide

N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide (PubChem CID 66619313) has the molecular formula C27H24ClF2N3O and a molecular weight of 479.96 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide
PubChem CID66619313
Molecular FormulaC27H24ClF2N3O
Molecular Weight479.96 g/mol
Exact Mass479.16
IUPAC NameN-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide
SMILESO=C(NCc1ccccc1)C(C1CCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21
InChIInChI=1S/C27H24ClF2N3O/c28-20-12-10-19(11-13-20)26-32-23-14-21(29)22(30)15-24(23)33(26)25(18-8-4-5-9-18)27(34)31-16-17-6-2-1-3-7-17/h1-3,6-7,10-15,18,25H,4-5,8-9,16H2,(H,31,34)
InChIKeyHEFILNQPRZZNOR-UHFFFAOYSA-N
XLogP6.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.96
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide?
The IUPAC name of N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide (CID 66619313) is N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide?
The canonical SMILES for N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide is O=C(NCc1ccccc1)C(C1CCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21.
What is the InChIKey of N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide?
The InChIKey is HEFILNQPRZZNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClF2N3O/c28-20-12-10-19(11-13-20)26-32-23-14-21(29)22(30)15-24(23)33(26)25(18-8-4-5-9-18)27(34)31-16-17-6-2-1-3-7-17/h1-3,6-7,10-15,18,25H,4-5,8-9,16H2,(H,31,34).
What are the key properties of N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide?
N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide has a molecular weight of 479.96 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 66619313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).