2-(6,7-difluorobenzimidazol-1-yl)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide

C20H16F4N4O — CID 25195472

IUPAC2-(6,7-difluorobenzimidazol-1-yl)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
SMILESO=C(Cn1cnc2ccc(F)c(F)c21)NC1C2CN(c3ccc(F)cc3F)CC21
InChIInChI=1S/C20H16F4N4O/c21-10-1-4-16(14(23)5-10)27-6-11-12(7-27)19(11)26-17(29)8-28-9-25-15-3-2-13(22)18(24)20(15)28/h1-5,9,11-12,19H,6-8H2,(H,26,29)
InChIKeyRBGHTKKSZHNPJS-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.84
Rot. Bonds4

About 2-(6,7-difluorobenzimidazol-1-yl)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide

2-(6,7-difluorobenzimidazol-1-yl)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide (PubChem CID 25195472) has the molecular formula C20H16F4N4O and a molecular weight of 404.37 g/mol. Its IUPAC name is 2-(6,7-difluorobenzimidazol-1-yl)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide.

Molecular Properties

Compound Name2-(6,7-difluorobenzimidazol-1-yl)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
PubChem CID25195472
Molecular FormulaC20H16F4N4O
Molecular Weight404.37 g/mol
Exact Mass404.13
IUPAC Name2-(6,7-difluorobenzimidazol-1-yl)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
SMILESO=C(Cn1cnc2ccc(F)c(F)c21)NC1C2CN(c3ccc(F)cc3F)CC21
InChIInChI=1S/C20H16F4N4O/c21-10-1-4-16(14(23)5-10)27-6-11-12(7-27)19(11)26-17(29)8-28-9-25-15-3-2-13(22)18(24)20(15)28/h1-5,9,11-12,19H,6-8H2,(H,26,29)
InChIKeyRBGHTKKSZHNPJS-UHFFFAOYSA-N
XLogP2.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-difluorobenzimidazol-1-yl)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The IUPAC name of 2-(6,7-difluorobenzimidazol-1-yl)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide (CID 25195472) is 2-(6,7-difluorobenzimidazol-1-yl)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide.
What is the SMILES notation for 2-(6,7-difluorobenzimidazol-1-yl)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The canonical SMILES for 2-(6,7-difluorobenzimidazol-1-yl)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide is O=C(Cn1cnc2ccc(F)c(F)c21)NC1C2CN(c3ccc(F)cc3F)CC21.
What is the InChIKey of 2-(6,7-difluorobenzimidazol-1-yl)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
The InChIKey is RBGHTKKSZHNPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4O/c21-10-1-4-16(14(23)5-10)27-6-11-12(7-27)19(11)26-17(29)8-28-9-25-15-3-2-13(22)18(24)20(15)28/h1-5,9,11-12,19H,6-8H2,(H,26,29).
What are the key properties of 2-(6,7-difluorobenzimidazol-1-yl)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide?
2-(6,7-difluorobenzimidazol-1-yl)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide has a molecular weight of 404.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-difluorobenzimidazol-1-yl)-N-[3-(2,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide is sourced from PubChem (CID 25195472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).