1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile

C13H10N4O — CID 113445212

IUPAC1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile
SMILESCc1cc(-c2nc3c(C#N)cccc3n2C)on1
InChIInChI=1S/C13H10N4O/c1-8-6-11(18-16-8)13-15-12-9(7-14)4-3-5-10(12)17(13)2/h3-6H,1-2H3
InChIKeyDEDFPHOSWSJFGP-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.41
Rot. Bonds1

About 1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile

1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile (PubChem CID 113445212) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile
PubChem CID113445212
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile
SMILESCc1cc(-c2nc3c(C#N)cccc3n2C)on1
InChIInChI=1S/C13H10N4O/c1-8-6-11(18-16-8)13-15-12-9(7-14)4-3-5-10(12)17(13)2/h3-6H,1-2H3
InChIKeyDEDFPHOSWSJFGP-UHFFFAOYSA-N
XLogP2.41
TPSA67.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720958
1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile
CID 104720919
2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile
CID 113445205
2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720981
2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720863
2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 107941821
2-[3-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720712
2-(3-bromo-4-methylphenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720927
1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile
CID 112735729
2-[4-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720831
1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile
CID 104720742
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile
CID 104720792

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile?
The IUPAC name of 1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile (CID 113445212) is 1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile?
The canonical SMILES for 1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile is Cc1cc(-c2nc3c(C#N)cccc3n2C)on1.
What is the InChIKey of 1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile?
The InChIKey is DEDFPHOSWSJFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c1-8-6-11(18-16-8)13-15-12-9(7-14)4-3-5-10(12)17(13)2/h3-6H,1-2H3.
What are the key properties of 1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile?
1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 113445212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).