2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-(2-methoxyethyl)benzimidazole-5-carbonitrile

C21H18FN5O — CID 20811979

IUPAC2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-(2-methoxyethyl)benzimidazole-5-carbonitrile
SMILESCOCCn1c(Cc2ccnn2-c2cccc(F)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C21H18FN5O/c1-28-10-9-26-20-6-5-15(14-23)11-19(20)25-21(26)13-18-7-8-24-27(18)17-4-2-3-16(22)12-17/h2-8,11-12H,9-10,13H2,1H3
InChIKeyGFRVVKBQAHKYMM-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.47
Rot. Bonds6

About 2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-(2-methoxyethyl)benzimidazole-5-carbonitrile

2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-(2-methoxyethyl)benzimidazole-5-carbonitrile (PubChem CID 20811979) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-(2-methoxyethyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-(2-methoxyethyl)benzimidazole-5-carbonitrile
PubChem CID20811979
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-(2-methoxyethyl)benzimidazole-5-carbonitrile
SMILESCOCCn1c(Cc2ccnn2-c2cccc(F)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C21H18FN5O/c1-28-10-9-26-20-6-5-15(14-23)11-19(20)25-21(26)13-18-7-8-24-27(18)17-4-2-3-16(22)12-17/h2-8,11-12H,9-10,13H2,1H3
InChIKeyGFRVVKBQAHKYMM-UHFFFAOYSA-N
XLogP3.47
TPSA68.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-(2-methoxyethyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-(2-methoxyethyl)benzimidazole-5-carbonitrile (CID 20811979) is 2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-(2-methoxyethyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-(2-methoxyethyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-(2-methoxyethyl)benzimidazole-5-carbonitrile is COCCn1c(Cc2ccnn2-c2cccc(F)c2)nc2cc(C#N)ccc21.
What is the InChIKey of 2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-(2-methoxyethyl)benzimidazole-5-carbonitrile?
The InChIKey is GFRVVKBQAHKYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-28-10-9-26-20-6-5-15(14-23)11-19(20)25-21(26)13-18-7-8-24-27(18)17-4-2-3-16(22)12-17/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of 2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-(2-methoxyethyl)benzimidazole-5-carbonitrile?
2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-(2-methoxyethyl)benzimidazole-5-carbonitrile has a molecular weight of 375.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-(2-methoxyethyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 20811979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).