1-ethyl-2-[[1-(3-fluorophenyl)-4-methylpyrazol-5-yl]methyl]benzimidazole-5-carbonitrile

C21H18FN5 — CID 59542818

IUPAC1-ethyl-2-[[1-(3-fluorophenyl)-4-methylpyrazol-5-yl]methyl]benzimidazole-5-carbonitrile
SMILESCCn1c(Cc2c(C)cnn2-c2cccc(F)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C21H18FN5/c1-3-26-19-8-7-15(12-23)9-18(19)25-21(26)11-20-14(2)13-24-27(20)17-6-4-5-16(22)10-17/h4-10,13H,3,11H2,1-2H3
InChIKeyKWGZWUXBZRGWEN-UHFFFAOYSA-N
MW359.41 g/mol
LogP4.15
Rot. Bonds4

About 1-ethyl-2-[[1-(3-fluorophenyl)-4-methylpyrazol-5-yl]methyl]benzimidazole-5-carbonitrile

1-ethyl-2-[[1-(3-fluorophenyl)-4-methylpyrazol-5-yl]methyl]benzimidazole-5-carbonitrile (PubChem CID 59542818) has the molecular formula C21H18FN5 and a molecular weight of 359.41 g/mol. Its IUPAC name is 1-ethyl-2-[[1-(3-fluorophenyl)-4-methylpyrazol-5-yl]methyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-[[1-(3-fluorophenyl)-4-methylpyrazol-5-yl]methyl]benzimidazole-5-carbonitrile
PubChem CID59542818
Molecular FormulaC21H18FN5
Molecular Weight359.41 g/mol
Exact Mass359.15
IUPAC Name1-ethyl-2-[[1-(3-fluorophenyl)-4-methylpyrazol-5-yl]methyl]benzimidazole-5-carbonitrile
SMILESCCn1c(Cc2c(C)cnn2-c2cccc(F)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C21H18FN5/c1-3-26-19-8-7-15(12-23)9-18(19)25-21(26)11-20-14(2)13-24-27(20)17-6-4-5-16(22)10-17/h4-10,13H,3,11H2,1-2H3
InChIKeyKWGZWUXBZRGWEN-UHFFFAOYSA-N
XLogP4.15
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[1-(3-fluorophenyl)-4-methylpyrazol-5-yl]methyl]benzimidazole-5-carbonitrile?
The IUPAC name of 1-ethyl-2-[[1-(3-fluorophenyl)-4-methylpyrazol-5-yl]methyl]benzimidazole-5-carbonitrile (CID 59542818) is 1-ethyl-2-[[1-(3-fluorophenyl)-4-methylpyrazol-5-yl]methyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2-[[1-(3-fluorophenyl)-4-methylpyrazol-5-yl]methyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 1-ethyl-2-[[1-(3-fluorophenyl)-4-methylpyrazol-5-yl]methyl]benzimidazole-5-carbonitrile is CCn1c(Cc2c(C)cnn2-c2cccc(F)c2)nc2cc(C#N)ccc21.
What is the InChIKey of 1-ethyl-2-[[1-(3-fluorophenyl)-4-methylpyrazol-5-yl]methyl]benzimidazole-5-carbonitrile?
The InChIKey is KWGZWUXBZRGWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5/c1-3-26-19-8-7-15(12-23)9-18(19)25-21(26)11-20-14(2)13-24-27(20)17-6-4-5-16(22)10-17/h4-10,13H,3,11H2,1-2H3.
What are the key properties of 1-ethyl-2-[[1-(3-fluorophenyl)-4-methylpyrazol-5-yl]methyl]benzimidazole-5-carbonitrile?
1-ethyl-2-[[1-(3-fluorophenyl)-4-methylpyrazol-5-yl]methyl]benzimidazole-5-carbonitrile has a molecular weight of 359.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[1-(3-fluorophenyl)-4-methylpyrazol-5-yl]methyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 59542818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).