N-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide

C18H11F4N3O2 — CID 135958377

IUPACN-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1c(F)cc(F)cc12
InChIInChI=1S/C18H11F4N3O2/c19-8-6-11(22)16-12(7-8)25-5-4-13(26)14(17(25)23-16)18(27)24-15-9(20)2-1-3-10(15)21/h1-3,6-7,26H,4-5H2,(H,24,27)
InChIKeyLWASUNKNGBEZRI-UHFFFAOYSA-N
MW377.30 g/mol
LogP3.90
Rot. Bonds2

About N-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide

N-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 135958377) has the molecular formula C18H11F4N3O2 and a molecular weight of 377.30 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
PubChem CID135958377
Molecular FormulaC18H11F4N3O2
Molecular Weight377.30 g/mol
Exact Mass377.08
IUPAC NameN-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1c(F)cc(F)cc12
InChIInChI=1S/C18H11F4N3O2/c19-8-6-11(22)16-12(7-8)25-5-4-13(26)14(17(25)23-16)18(27)24-15-9(20)2-1-3-10(15)21/h1-3,6-7,26H,4-5H2,(H,24,27)
InChIKeyLWASUNKNGBEZRI-UHFFFAOYSA-N
XLogP3.90
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (CID 135958377) is N-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is O=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1c(F)cc(F)cc12.
What is the InChIKey of N-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is LWASUNKNGBEZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O2/c19-8-6-11(22)16-12(7-8)25-5-4-13(26)14(17(25)23-16)18(27)24-15-9(20)2-1-3-10(15)21/h1-3,6-7,26H,4-5H2,(H,24,27).
What are the key properties of N-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
N-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 377.30 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 135958377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).