3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole

C26H24N4S — CID 176978694

IUPAC3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole
SMILESCCn1c(-c2ccccc2-c2ccc(C)cc2C)nc2cc(-c3nsc(C)n3)ccc21
InChIInChI=1S/C26H24N4S/c1-5-30-24-13-11-19(25-27-18(4)31-29-25)15-23(24)28-26(30)22-9-7-6-8-21(22)20-12-10-16(2)14-17(20)3/h6-15H,5H2,1-4H3
InChIKeyWJHJKXZLBWGDIT-UHFFFAOYSA-N
MW424.57 g/mol
LogP6.83
Rot. Bonds4

About 3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole

3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole (PubChem CID 176978694) has the molecular formula C26H24N4S and a molecular weight of 424.57 g/mol. Its IUPAC name is 3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole
PubChem CID176978694
Molecular FormulaC26H24N4S
Molecular Weight424.57 g/mol
Exact Mass424.17
IUPAC Name3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole
SMILESCCn1c(-c2ccccc2-c2ccc(C)cc2C)nc2cc(-c3nsc(C)n3)ccc21
InChIInChI=1S/C26H24N4S/c1-5-30-24-13-11-19(25-27-18(4)31-29-25)15-23(24)28-26(30)22-9-7-6-8-21(22)20-12-10-16(2)14-17(20)3/h6-15H,5H2,1-4H3
InChIKeyWJHJKXZLBWGDIT-UHFFFAOYSA-N
XLogP6.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole
CID 176978800
2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide
CID 122371996
2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide
CID 176978723
4-[[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 176978645
2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide
CID 176978642
3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol
CID 82829202
5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60785305
1-ethyl-2-phenyl-5-[4-[10-[2-(4-phenylphenyl)phenyl]-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]anthracen-2-yl]phenyl]benzimidazole
CID 58389750
4-(1-ethylbenzimidazol-2-yl)-3-methylphenol
CID 136750847
2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole
CID 60785471
2-[2-(2,4-dimethylphenyl)phenyl]-N,1-dimethylbenzimidazole-5-carboxamide
CID 176978825
1-ethyl-2-methyl-5-phenylbenzimidazole
CID 746920

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole?
The IUPAC name of 3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole (CID 176978694) is 3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole is CCn1c(-c2ccccc2-c2ccc(C)cc2C)nc2cc(-c3nsc(C)n3)ccc21.
What is the InChIKey of 3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole?
The InChIKey is WJHJKXZLBWGDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4S/c1-5-30-24-13-11-19(25-27-18(4)31-29-25)15-23(24)28-26(30)22-9-7-6-8-21(22)20-12-10-16(2)14-17(20)3/h6-15H,5H2,1-4H3.
What are the key properties of 3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole?
3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole has a molecular weight of 424.57 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 176978694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).