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

C19H22N4O3S — CID 2415278

IUPACN'-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccc(C)cc3C)ccc21
InChIInChI=1S/C19H22N4O3S/c1-5-23-14(4)20-16-11-15(7-8-17(16)23)19(24)21-22-27(25,26)18-9-6-12(2)10-13(18)3/h6-11,22H,5H2,1-4H3,(H,21,24)
InChIKeyRPJOCLPQBNTYNV-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.60
Rot. Bonds5

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

N'-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide (PubChem CID 2415278) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
PubChem CID2415278
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN'-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccc(C)cc3C)ccc21
InChIInChI=1S/C19H22N4O3S/c1-5-23-14(4)20-16-11-15(7-8-17(16)23)19(24)21-22-27(25,26)18-9-6-12(2)10-13(18)3/h6-11,22H,5H2,1-4H3,(H,21,24)
InChIKeyRPJOCLPQBNTYNV-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

methyl 3-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]sulfamoyl]benzoate
CID 31699528
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
CID 26536246
N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide
CID 39707198
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide
CID 2090701
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-oxoacetic acid
CID 82495640
1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide
CID 2465145
N'-[2-(2-tert-butylphenoxy)acetyl]-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 24535909
2-[6-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 30867393
1-ethyl-2-methyl-N'-[(2R)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165622

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide?
The IUPAC name of N'-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide (CID 2415278) is N'-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide.
What is the SMILES notation for N'-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide?
The canonical SMILES for N'-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide is CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccc(C)cc3C)ccc21.
What is the InChIKey of N'-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide?
The InChIKey is RPJOCLPQBNTYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-5-23-14(4)20-16-11-15(7-8-17(16)23)19(24)21-22-27(25,26)18-9-6-12(2)10-13(18)3/h6-11,22H,5H2,1-4H3,(H,21,24).
What are the key properties of N'-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide?
N'-(2,4-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'-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide is sourced from PubChem (CID 2415278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).