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

C19H15F2N3O3 — CID 135958369

IUPACN-(2,6-difluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESCOc1cccc2c1nc1n2CCC(O)=C1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C19H15F2N3O3/c1-27-14-7-3-6-12-17(14)22-18-15(13(25)8-9-24(12)18)19(26)23-16-10(20)4-2-5-11(16)21/h2-7,25H,8-9H2,1H3,(H,23,26)
InChIKeyOZKYCVOYECPCLK-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.63
Rot. Bonds3

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

N-(2,6-difluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 135958369) has the molecular formula C19H15F2N3O3 and a molecular weight of 371.34 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
PubChem CID135958369
Molecular FormulaC19H15F2N3O3
Molecular Weight371.34 g/mol
Exact Mass371.11
IUPAC NameN-(2,6-difluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESCOc1cccc2c1nc1n2CCC(O)=C1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C19H15F2N3O3/c1-27-14-7-3-6-12-17(14)22-18-15(13(25)8-9-24(12)18)19(26)23-16-10(20)4-2-5-11(16)21/h2-7,25H,8-9H2,1H3,(H,23,26)
InChIKeyOZKYCVOYECPCLK-UHFFFAOYSA-N
XLogP3.63
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (CID 135958369) is N-(2,6-difluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is COc1cccc2c1nc1n2CCC(O)=C1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is OZKYCVOYECPCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3/c1-27-14-7-3-6-12-17(14)22-18-15(13(25)8-9-24(12)18)19(26)23-16-10(20)4-2-5-11(16)21/h2-7,25H,8-9H2,1H3,(H,23,26).
What are the key properties of N-(2,6-difluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
N-(2,6-difluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 371.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-hydroxy-6-methoxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 135958369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).