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

C24H14ClFN8O — CID 146433475

IUPAC4-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5[nH]c(=O)[nH]c5c4)c3c2)c(F)c1
InChIInChI=1S/C24H14ClFN8O/c25-17-8-15(21-5-6-28-33(21)12-14-2-1-13(11-27)7-18(14)26)9-22-23(17)31-32-34(22)16-3-4-19-20(10-16)30-24(35)29-19/h1-10H,12H2,(H2,29,30,35)
InChIKeyIVZRYVOWZLEAHI-UHFFFAOYSA-N
MW484.88 g/mol
LogP4.17
Rot. Bonds4

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

4-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-fluorobenzonitrile (PubChem CID 146433475) has the molecular formula C24H14ClFN8O and a molecular weight of 484.88 g/mol. Its IUPAC name is 4-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-fluorobenzonitrile
PubChem CID146433475
Molecular FormulaC24H14ClFN8O
Molecular Weight484.88 g/mol
Exact Mass484.10
IUPAC Name4-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5[nH]c(=O)[nH]c5c4)c3c2)c(F)c1
InChIInChI=1S/C24H14ClFN8O/c25-17-8-15(21-5-6-28-33(21)12-14-2-1-13(11-27)7-18(14)26)9-22-23(17)31-32-34(22)16-3-4-19-20(10-16)30-24(35)29-19/h1-10H,12H2,(H2,29,30,35)
InChIKeyIVZRYVOWZLEAHI-UHFFFAOYSA-N
XLogP4.17
TPSA120.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.88
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-fluorobenzonitrile?
The IUPAC name of 4-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-fluorobenzonitrile (CID 146433475) is 4-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-fluorobenzonitrile is N#Cc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5[nH]c(=O)[nH]c5c4)c3c2)c(F)c1.
What is the InChIKey of 4-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-fluorobenzonitrile?
The InChIKey is IVZRYVOWZLEAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClFN8O/c25-17-8-15(21-5-6-28-33(21)12-14-2-1-13(11-27)7-18(14)26)9-22-23(17)31-32-34(22)16-3-4-19-20(10-16)30-24(35)29-19/h1-10H,12H2,(H2,29,30,35).
What are the key properties of 4-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-fluorobenzonitrile?
4-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-fluorobenzonitrile has a molecular weight of 484.88 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-fluorobenzonitrile is sourced from PubChem (CID 146433475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).