1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol

C19H18FN5O2 — CID 135965933

IUPAC1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol
SMILESO=Nc1c(O)n(Cc2nc3ccccc3n2CCCCF)c2cnccc12
InChIInChI=1S/C19H18FN5O2/c20-8-3-4-10-24-15-6-2-1-5-14(15)22-17(24)12-25-16-11-21-9-7-13(16)18(23-27)19(25)26/h1-2,5-7,9,11,26H,3-4,8,10,12H2
InChIKeyBWLZTGDXJQWUAX-UHFFFAOYSA-N
MW367.38 g/mol
LogP4.29
Rot. Bonds7

About 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol

1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol (PubChem CID 135965933) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

Compound Name1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol
PubChem CID135965933
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol
SMILESO=Nc1c(O)n(Cc2nc3ccccc3n2CCCCF)c2cnccc12
InChIInChI=1S/C19H18FN5O2/c20-8-3-4-10-24-15-6-2-1-5-14(15)22-17(24)12-25-16-11-21-9-7-13(16)18(23-27)19(25)26/h1-2,5-7,9,11,26H,3-4,8,10,12H2
InChIKeyBWLZTGDXJQWUAX-UHFFFAOYSA-N
XLogP4.29
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol
CID 135730689
1-cyclopropyl-3-[[1-(5-hydroxypentyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 18334827
3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1H-imidazo[4,5-c]pyridin-2-one
CID 118152466
1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one
CID 90307148
2-(chloromethyl)-3-(2-fluoroethyl)imidazo[4,5-c]pyridine
CID 126984980
tert-butyl 1-[[1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridine-3-carboxylate
CID 18334926
(3E)-1-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-3-methoxyiminopyrrolo[2,3-c]pyridin-2-one
CID 23517120
1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol
CID 2142444
N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965544
3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(6-fluoro-3-pyridinyl)imidazo[4,5-c]pyridin-2-one
CID 72703343
2-[1-(2-fluoroethyl)benzimidazol-2-yl]ethanethioamide
CID 80695955
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol?
The IUPAC name of 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol (CID 135965933) is 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol.
What is the SMILES notation for 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol?
The canonical SMILES for 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol is O=Nc1c(O)n(Cc2nc3ccccc3n2CCCCF)c2cnccc12.
What is the InChIKey of 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol?
The InChIKey is BWLZTGDXJQWUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-8-3-4-10-24-15-6-2-1-5-14(15)22-17(24)12-25-16-11-21-9-7-13(16)18(23-27)19(25)26/h1-2,5-7,9,11,26H,3-4,8,10,12H2.
What are the key properties of 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol?
1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol has a molecular weight of 367.38 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 135965933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).