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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Related Compounds

(6S)-1-(3,4-difluorophenyl)-6-(5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl)piperidin-2-one
CID 134457551
5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1-[2-(Morpholin-4-Yl)ethyl]-2-(2-Phenylethyl)-1h-Benzimidazole
CID 72201025
5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-2-[2-(4-Methoxyphenyl)ethyl]-1-[2-(Morpholin-4-Yl)ethyl]-1h-Benzimidazole
CID 121237855
1-(4-Chlorobenzyl)-5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1h-Benzimidazole
CID 72201024
1-benzyl-6-(3,5-dimethylisoxazol-4-yl)-1H-benzo[d]imidazol-4-amine
CID 86566737
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[[4-(oxiran-2-yl)phenyl]methyl]benzimidazol-4-amine
CID 121414854
(3S,5S)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-3-fluoropyrrolidin-2-one
CID 172053308
(5,6-Dimethylbenzimidazol-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 798239
4-(2,1-benzoxazol-3-yl)-3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]aniline
CID 44158209
N-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine
CID 70688923
4-[3-[(3-Fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 90667404
4-[3-[(4-Chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 90667406

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).