4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile

C20H16N4O — CID 71720056

IUPAC4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile
SMILESCc1noc(C)c1-c1ccc2ncn(Cc3ccc(C#N)cc3)c2c1
InChIInChI=1S/C20H16N4O/c1-13-20(14(2)25-23-13)17-7-8-18-19(9-17)24(12-22-18)11-16-5-3-15(10-21)4-6-16/h3-9,12H,11H2,1-2H3
InChIKeyMLWRFWIMTXIJLC-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.23
Rot. Bonds3

About 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile

4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile (PubChem CID 71720056) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile
PubChem CID71720056
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile
SMILESCc1noc(C)c1-c1ccc2ncn(Cc3ccc(C#N)cc3)c2c1
InChIInChI=1S/C20H16N4O/c1-13-20(14(2)25-23-13)17-7-8-18-19(9-17)24(12-22-18)11-16-5-3-15(10-21)4-6-16/h3-9,12H,11H2,1-2H3
InChIKeyMLWRFWIMTXIJLC-UHFFFAOYSA-N
XLogP4.23
TPSA67.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile (CID 71720056) is 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile is Cc1noc(C)c1-c1ccc2ncn(Cc3ccc(C#N)cc3)c2c1.
What is the InChIKey of 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile?
The InChIKey is MLWRFWIMTXIJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-13-20(14(2)25-23-13)17-7-8-18-19(9-17)24(12-22-18)11-16-5-3-15(10-21)4-6-16/h3-9,12H,11H2,1-2H3.
What are the key properties of 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile?
4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile has a molecular weight of 328.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 71720056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).