5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine

C18H17FN6O — CID 142991697

IUPAC5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Nc2c(-c3nnc(N)o3)cc3c(ncn3C)c2F)c(C)c1
InChIInChI=1S/C18H17FN6O/c1-9-4-5-12(10(2)6-9)22-15-11(17-23-24-18(20)26-17)7-13-16(14(15)19)21-8-25(13)3/h4-8,22H,1-3H3,(H2,20,24)
InChIKeyJJCJIOHEEDKBAY-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.71
Rot. Bonds3

About 5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine

5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 142991697) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID142991697
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Nc2c(-c3nnc(N)o3)cc3c(ncn3C)c2F)c(C)c1
InChIInChI=1S/C18H17FN6O/c1-9-4-5-12(10(2)6-9)22-15-11(17-23-24-18(20)26-17)7-13-16(14(15)19)21-8-25(13)3/h4-8,22H,1-3H3,(H2,20,24)
InChIKeyJJCJIOHEEDKBAY-UHFFFAOYSA-N
XLogP3.71
TPSA94.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

6-(2,4-dimethylanilino)-7-fluoro-3-methyl-N-[2-(methylamino)ethoxy]benzimidazole-5-carboxamide;ethane
CID 142991641
7-fluoro-6-(4-iodo-2-methylanilino)-3-methylbenzimidazole-5-carboxylic acid
CID 58781122
5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine
CID 11384665
5-[7-fluoro-6-(2-fluoro-4-iodoanilino)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one
CID 58781143
7-fluoro-6-(4-iodo-2-methylanilino)-3-methylbenzimidazole-5-carbohydrazide
CID 58781096
3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine
CID 70397707
ethane;7-fluoro-6-(2-fluoro-4-methylanilino)-N-(3-hydroxypropyl)-3-methylbenzimidazole-5-carboxamide
CID 142991585
8-(5-amino-1,3,4-oxadiazol-2-yl)-7-(2-fluoro-4-methylanilino)-6-methyl-1,6-naphthyridin-5-one;ethane
CID 144761831
4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one
CID 140520700
8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine
CID 83163894
5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 63048941
5-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]-3H-1,3,4-oxadiazole-2-thione
CID 142007081

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine (CID 142991697) is 5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine is Cc1ccc(Nc2c(-c3nnc(N)o3)cc3c(ncn3C)c2F)c(C)c1.
What is the InChIKey of 5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JJCJIOHEEDKBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c1-9-4-5-12(10(2)6-9)22-15-11(17-23-24-18(20)26-17)7-13-16(14(15)19)21-8-25(13)3/h4-8,22H,1-3H3,(H2,20,24).
What are the key properties of 5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine?
5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 352.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2,4-dimethylanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 142991697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).