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

C18H12ClF2N3O2 — CID 135503730

IUPAC6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1c(Cl)cccc12
InChIInChI=1S/C18H12ClF2N3O2/c19-9-3-1-6-12-15(9)22-17-14(13(25)7-8-24(12)17)18(26)23-16-10(20)4-2-5-11(16)21/h1-6,25H,7-8H2,(H,23,26)
InChIKeyLXCPBQZYAXSKBH-UHFFFAOYSA-N
MW375.76 g/mol
LogP4.28
Rot. Bonds2

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

6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 135503730) has the molecular formula C18H12ClF2N3O2 and a molecular weight of 375.76 g/mol. Its IUPAC name is 6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
PubChem CID135503730
Molecular FormulaC18H12ClF2N3O2
Molecular Weight375.76 g/mol
Exact Mass375.06
IUPAC Name6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1c(Cl)cccc12
InChIInChI=1S/C18H12ClF2N3O2/c19-9-3-1-6-12-15(9)22-17-14(13(25)7-8-24(12)17)18(26)23-16-10(20)4-2-5-11(16)21/h1-6,25H,7-8H2,(H,23,26)
InChIKeyLXCPBQZYAXSKBH-UHFFFAOYSA-N
XLogP4.28
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.76
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-6,8-difluoro-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 135958377
3-hydroxy-6-methyl-N-phenyl-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 135819094
N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362878
N-(2,6-difluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363612
2-(azepan-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109313282
N-(2,6-dichlorophenyl)-2-fluoro-6-hydroxybenzamide
CID 107015267
N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108500285
N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953
N-(2-chloro-6-fluorophenyl)-3,5-dihydroxybenzamide
CID 107704313
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318750
N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109310649
N-(2-chloro-6-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 107076664

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of 6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide (CID 135503730) is 6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for 6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is O=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1c(Cl)cccc12.
What is the InChIKey of 6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is LXCPBQZYAXSKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O2/c19-9-3-1-6-12-15(9)22-17-14(13(25)7-8-24(12)17)18(26)23-16-10(20)4-2-5-11(16)21/h1-6,25H,7-8H2,(H,23,26).
What are the key properties of 6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide?
6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 375.76 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,6-difluorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 135503730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).