2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide

C23H23N3O2S — CID 176978723

IUPAC2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide
SMILESCCn1c(-c2ccccc2-c2ccc(C)cc2C)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C23H23N3O2S/c1-4-26-22-12-10-17(29(24,27)28)14-21(22)25-23(26)20-8-6-5-7-19(20)18-11-9-15(2)13-16(18)3/h5-14H,4H2,1-3H3,(H2,24,27,28)
InChIKeyMHDKEOIADVHGCK-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.65
Rot. Bonds4

About 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide

2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide (PubChem CID 176978723) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide
PubChem CID176978723
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide
SMILESCCn1c(-c2ccccc2-c2ccc(C)cc2C)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C23H23N3O2S/c1-4-26-22-12-10-17(29(24,27)28)14-21(22)25-23(26)20-8-6-5-7-19(20)18-11-9-15(2)13-16(18)3/h5-14H,4H2,1-3H3,(H2,24,27,28)
InChIKeyMHDKEOIADVHGCK-UHFFFAOYSA-N
XLogP4.65
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-N-methylbenzimidazole-5-carboxamide
CID 122371996
3-[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazol-5-yl]-5-methyl-1,2,4-thiadiazole
CID 176978694
2-[2-(2,4-dimethylphenyl)phenyl]-1-ethyl-5-(2H-tetrazol-5-yl)benzimidazole
CID 176978800
4-[[2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 176978645
3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol
CID 82829202
2-[2-(2,4-dimethylphenyl)phenyl]-1-(2-hydroxyethyl)-N-methylbenzimidazole-5-carboxamide
CID 176978642
1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide
CID 7599106
N-[2-(1-ethyl-5-nitrobenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 91823769
1-ethyl-2-(naphthalen-1-ylmethylsulfanyl)benzimidazole-5-sulfonamide
CID 7481486
5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60785305
4-(1-ethylbenzimidazol-2-yl)-3-methylphenol
CID 136750847
N-[2-(5-amino-1-propylbenzimidazol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 91823774

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide (CID 176978723) is 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide is CCn1c(-c2ccccc2-c2ccc(C)cc2C)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide?
The InChIKey is MHDKEOIADVHGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-4-26-22-12-10-17(29(24,27)28)14-21(22)25-23(26)20-8-6-5-7-19(20)18-11-9-15(2)13-16(18)3/h5-14H,4H2,1-3H3,(H2,24,27,28).
What are the key properties of 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide?
2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide has a molecular weight of 405.52 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)phenyl]-1-ethylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 176978723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).