4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile

C24H15FN8O — CID 155540395

IUPAC4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2nccc2-c2cc(F)c3nnn(-c4ccc5[nH]c(=O)[nH]c5c4)c3c2)cc1
InChIInChI=1S/C24H15FN8O/c25-18-9-16(21-7-8-27-32(21)13-15-3-1-14(12-26)2-4-15)10-22-23(18)30-31-33(22)17-5-6-19-20(11-17)29-24(34)28-19/h1-11H,13H2,(H2,28,29,34)
InChIKeyOWTSFHUTRMIOGF-UHFFFAOYSA-N
MW450.44 g/mol
LogP3.51
Rot. Bonds4

About 4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile

4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile (PubChem CID 155540395) has the molecular formula C24H15FN8O and a molecular weight of 450.44 g/mol. Its IUPAC name is 4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile
PubChem CID155540395
Molecular FormulaC24H15FN8O
Molecular Weight450.44 g/mol
Exact Mass450.14
IUPAC Name4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2nccc2-c2cc(F)c3nnn(-c4ccc5[nH]c(=O)[nH]c5c4)c3c2)cc1
InChIInChI=1S/C24H15FN8O/c25-18-9-16(21-7-8-27-32(21)13-15-3-1-14(12-26)2-4-15)10-22-23(18)30-31-33(22)17-5-6-19-20(11-17)29-24(34)28-19/h1-11H,13H2,(H2,28,29,34)
InChIKeyOWTSFHUTRMIOGF-UHFFFAOYSA-N
XLogP3.51
TPSA120.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 146433251
CID 146433251
CID 146433253
CID 146433253
CID 146433473
CID 146433473
CID 146433538
CID 146433538
CID 117777725
CID 117777725
CID 146433260
CID 146433260
CID 146433308
CID 146433308
CID 146433471
CID 146433471
CID 146433475
CID 146433475
CID 146433490
CID 146433490
CID 146433543
CID 146433543
CID 146433546
CID 146433546

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile (CID 155540395) is 4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile is N#Cc1ccc(Cn2nccc2-c2cc(F)c3nnn(-c4ccc5[nH]c(=O)[nH]c5c4)c3c2)cc1.
What is the InChIKey of 4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile?
The InChIKey is OWTSFHUTRMIOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN8O/c25-18-9-16(21-7-8-27-32(21)13-15-3-1-14(12-26)2-4-15)10-22-23(18)30-31-33(22)17-5-6-19-20(11-17)29-24(34)28-19/h1-11H,13H2,(H2,28,29,34).
What are the key properties of 4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile?
4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile has a molecular weight of 450.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 155540395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).