1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one

C19H17F2N5O — CID 90307148

IUPAC1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one
SMILESO=c1cnc2cnccc2n1Cc1nc2cc(F)ccc2n1CCCCF
InChIInChI=1S/C19H17F2N5O/c20-6-1-2-8-25-16-4-3-13(21)9-14(16)24-18(25)12-26-17-5-7-22-10-15(17)23-11-19(26)27/h3-5,7,9-11H,1-2,6,8,12H2
InChIKeyVSQCOLGPRXTRSV-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.08
Rot. Bonds6

About 1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one

1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one (PubChem CID 90307148) has the molecular formula C19H17F2N5O and a molecular weight of 369.38 g/mol. Its IUPAC name is 1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one
PubChem CID90307148
Molecular FormulaC19H17F2N5O
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one
SMILESO=c1cnc2cnccc2n1Cc1nc2cc(F)ccc2n1CCCCF
InChIInChI=1S/C19H17F2N5O/c20-6-1-2-8-25-16-4-3-13(21)9-14(16)24-18(25)12-26-17-5-7-22-10-15(17)23-11-19(26)27/h3-5,7,9-11H,1-2,6,8,12H2
InChIKeyVSQCOLGPRXTRSV-UHFFFAOYSA-N
XLogP3.08
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one
CID 159750900
2-(chloromethyl)-5-fluoro-1-(4-fluorobutyl)benzimidazole
CID 90307136
[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol
CID 90307140
3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one
CID 72703343
3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one;3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(4-methoxyphenyl)imidazo[4,5-c]pyridin-2-one
CID 161496585
3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one
CID 118152466
3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-2-one
CID 118131016
2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide
CID 67975549
2-[3-(diaminomethylideneamino)-4-dodecoxyphenyl]guanidine;7-[3-[(dimethylamino)methyl]phenyl]-1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinoxalin-2-one
CID 130405258
4-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-bromo-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;4-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;4-[[5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-1-cyclopropyl-2H-pyrido[3,4-b]pyrazin-3-one;1-cyclopropyl-4-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2H-pyrido[3,4-b]pyrazin-3-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-7-methylquinoxalin-2-one;1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinoxalin-2-one
CID 159750897
5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide
CID 106240434
N-[4-[[3-[[5-fluoro-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]methyl]phenyl]methanesulfonamide
CID 18334914

Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one (CID 90307148) is 1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one is O=c1cnc2cnccc2n1Cc1nc2cc(F)ccc2n1CCCCF.
What is the InChIKey of 1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one?
The InChIKey is VSQCOLGPRXTRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O/c20-6-1-2-8-25-16-4-3-13(21)9-14(16)24-18(25)12-26-17-5-7-22-10-15(17)23-11-19(26)27/h3-5,7,9-11H,1-2,6,8,12H2.
What are the key properties of 1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one?
1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one has a molecular weight of 369.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 90307148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).