2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide

C28H39F2N3O2 — CID 67373327

IUPAC2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide
SMILESCOC(c1nc2cc(F)c(F)cc2n1C(C(=O)NC1CCCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H39F2N3O2/c1-35-26(19-12-6-3-7-13-19)27-32-23-16-21(29)22(30)17-24(23)33(27)25(18-10-4-2-5-11-18)28(34)31-20-14-8-9-15-20/h16-20,25-26H,2-15H2,1H3,(H,31,34)
InChIKeyULKLUYYYJQOROY-UHFFFAOYSA-N
MW487.64 g/mol
LogP6.76
Rot. Bonds7

About 2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide

2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide (PubChem CID 67373327) has the molecular formula C28H39F2N3O2 and a molecular weight of 487.64 g/mol. Its IUPAC name is 2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide
PubChem CID67373327
Molecular FormulaC28H39F2N3O2
Molecular Weight487.64 g/mol
Exact Mass487.30
IUPAC Name2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide
SMILESCOC(c1nc2cc(F)c(F)cc2n1C(C(=O)NC1CCCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H39F2N3O2/c1-35-26(19-12-6-3-7-13-19)27-32-23-16-21(29)22(30)17-24(23)33(27)25(18-10-4-2-5-11-18)28(34)31-20-14-8-9-15-20/h16-20,25-26H,2-15H2,1H3,(H,31,34)
InChIKeyULKLUYYYJQOROY-UHFFFAOYSA-N
XLogP6.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide (CID 67373327) is 2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide is COC(c1nc2cc(F)c(F)cc2n1C(C(=O)NC1CCCC1)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide?
The InChIKey is ULKLUYYYJQOROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39F2N3O2/c1-35-26(19-12-6-3-7-13-19)27-32-23-16-21(29)22(30)17-24(23)33(27)25(18-10-4-2-5-11-18)28(34)31-20-14-8-9-15-20/h16-20,25-26H,2-15H2,1H3,(H,31,34).
What are the key properties of 2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide?
2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide has a molecular weight of 487.64 g/mol, XLogP of 6.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[2-[cyclohexyl(methoxy)methyl]-5,6-difluorobenzimidazol-1-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 67373327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).