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

C19H15FN6 — CID 22379878

IUPAC1-ethyl-2-[[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzimidazole-5-carbonitrile
SMILESCCn1c(Cc2ncnn2-c2cccc(F)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C19H15FN6/c1-2-25-17-7-6-13(11-21)8-16(17)24-19(25)10-18-22-12-23-26(18)15-5-3-4-14(20)9-15/h3-9,12H,2,10H2,1H3
InChIKeyIQWOBDMDBCFNSL-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.24
Rot. Bonds4

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

1-ethyl-2-[[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzimidazole-5-carbonitrile (PubChem CID 22379878) has the molecular formula C19H15FN6 and a molecular weight of 346.37 g/mol. Its IUPAC name is 1-ethyl-2-[[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-[[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzimidazole-5-carbonitrile
PubChem CID22379878
Molecular FormulaC19H15FN6
Molecular Weight346.37 g/mol
Exact Mass346.13
IUPAC Name1-ethyl-2-[[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzimidazole-5-carbonitrile
SMILESCCn1c(Cc2ncnn2-c2cccc(F)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C19H15FN6/c1-2-25-17-7-6-13(11-21)8-16(17)24-19(25)10-18-22-12-23-26(18)15-5-3-4-14(20)9-15/h3-9,12H,2,10H2,1H3
InChIKeyIQWOBDMDBCFNSL-UHFFFAOYSA-N
XLogP3.24
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzimidazole-5-carbonitrile?
The IUPAC name of 1-ethyl-2-[[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzimidazole-5-carbonitrile (CID 22379878) is 1-ethyl-2-[[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2-[[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 1-ethyl-2-[[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzimidazole-5-carbonitrile is CCn1c(Cc2ncnn2-c2cccc(F)c2)nc2cc(C#N)ccc21.
What is the InChIKey of 1-ethyl-2-[[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzimidazole-5-carbonitrile?
The InChIKey is IQWOBDMDBCFNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6/c1-2-25-17-7-6-13(11-21)8-16(17)24-19(25)10-18-22-12-23-26(18)15-5-3-4-14(20)9-15/h3-9,12H,2,10H2,1H3.
What are the key properties of 1-ethyl-2-[[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzimidazole-5-carbonitrile?
1-ethyl-2-[[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzimidazole-5-carbonitrile has a molecular weight of 346.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[2-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 22379878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).