2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile

C18H12N4S — CID 880814

IUPAC2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C18H12N4S/c19-9-13-5-1-2-6-14(13)10-22-17-8-4-3-7-15(17)21-18(22)16-11-23-12-20-16/h1-8,11-12H,10H2
InChIKeyZJPPZLOGRKAZHT-UHFFFAOYSA-N
MW316.39 g/mol
LogP4.08
Rot. Bonds3

About 2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile

2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile (PubChem CID 880814) has the molecular formula C18H12N4S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile
PubChem CID880814
Molecular FormulaC18H12N4S
Molecular Weight316.39 g/mol
Exact Mass316.08
IUPAC Name2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C18H12N4S/c19-9-13-5-1-2-6-14(13)10-22-17-8-4-3-7-15(17)21-18(22)16-11-23-12-20-16/h1-8,11-12H,10H2
InChIKeyZJPPZLOGRKAZHT-UHFFFAOYSA-N
XLogP4.08
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile (CID 880814) is 2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile is N#Cc1ccccc1Cn1c(-c2cscn2)nc2ccccc21.
What is the InChIKey of 2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile?
The InChIKey is ZJPPZLOGRKAZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4S/c19-9-13-5-1-2-6-14(13)10-22-17-8-4-3-7-15(17)21-18(22)16-11-23-12-20-16/h1-8,11-12H,10H2.
What are the key properties of 2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile?
2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile has a molecular weight of 316.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 880814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).