N'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide

C19H22N4O3S — CID 2696880

IUPACN'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccc(C)c(C)c3)ccc21
InChIInChI=1S/C19H22N4O3S/c1-5-23-14(4)20-17-11-15(7-9-18(17)23)19(24)21-22-27(25,26)16-8-6-12(2)13(3)10-16/h6-11,22H,5H2,1-4H3,(H,21,24)
InChIKeyUXMJMNCLFIIKFT-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.60
Rot. Bonds5

About N'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide

N'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide (PubChem CID 2696880) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
PubChem CID2696880
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccc(C)c(C)c3)ccc21
InChIInChI=1S/C19H22N4O3S/c1-5-23-14(4)20-17-11-15(7-9-18(17)23)19(24)21-22-27(25,26)16-8-6-12(2)13(3)10-16/h6-11,22H,5H2,1-4H3,(H,21,24)
InChIKeyUXMJMNCLFIIKFT-UHFFFAOYSA-N
XLogP2.60
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-sulfamoylphenylamino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide
CID 25164661
N-[4-[[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
CID 16328331
N-(1-propyl-1H-1,3-benzodiazol-2-yl)-3-(pyrrolidine-1-sulfonyl)benzamide
CID 3000022
4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide
CID 10547195
2-[(1R)-1-[(4-chlorophenyl)sulfonylamino]ethyl]-1-ethylbenzimidazole-5-carboxamide
CID 59177097
2-(4-(methylsulfonyl)phenylamino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide
CID 25165474
4-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (1b)
CID 78319189
4-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (1d)
CID 129626985
4-[(2-Ethyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (1e)
CID 129626987
4-[(2-Propyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (1f)
CID 129626990
3-[(2-Propyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (3f)
CID 129626991
4-[(2-Butyl-1H-benzimidazol-1-yl)acetyl]benzenesulfonamide (1g)
CID 129626992

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide?
The IUPAC name of N'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide (CID 2696880) is N'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide?
The canonical SMILES for N'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide is CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccc(C)c(C)c3)ccc21.
What is the InChIKey of N'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide?
The InChIKey is UXMJMNCLFIIKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-5-23-14(4)20-17-11-15(7-9-18(17)23)19(24)21-22-27(25,26)16-8-6-12(2)13(3)10-16/h6-11,22H,5H2,1-4H3,(H,21,24).
What are the key properties of N'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide?
N'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide has a molecular weight of 386.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide is sourced from PubChem (CID 2696880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).