4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide

C17H17N5O3S — CID 10547195

IUPAC4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide
SMILESCc1cc(-n2cnc3ccccc32)c(S(C)(=O)=O)cc1C(=O)N=C(N)N
InChIInChI=1S/C17H17N5O3S/c1-10-7-14(22-9-20-12-5-3-4-6-13(12)22)15(26(2,24)25)8-11(10)16(23)21-17(18)19/h3-9H,1-2H3,(H4,18,19,21,23)
InChIKeyOJSNDNLRRPOXDM-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.15
Rot. Bonds3

About 4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide

4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide (PubChem CID 10547195) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide
PubChem CID10547195
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide
SMILESCc1cc(-n2cnc3ccccc32)c(S(C)(=O)=O)cc1C(=O)N=C(N)N
InChIInChI=1S/C17H17N5O3S/c1-10-7-14(22-9-20-12-5-3-4-6-13(12)22)15(26(2,24)25)8-11(10)16(23)21-17(18)19/h3-9H,1-2H3,(H4,18,19,21,23)
InChIKeyOJSNDNLRRPOXDM-UHFFFAOYSA-N
XLogP1.15
TPSA133.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-sulfamoylphenylamino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide
CID 25164661
2-((4-(Methylthio)phenyl)amino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide
CID 45267853
N-(diaminomethylidene)-2-methyl-4-(2-methylimidazol-1-yl)-5-methylsulfonylbenzamide
CID 10592895
N-(diaminomethylidene)-4-imidazol-1-yl-2,3-dimethyl-5-methylsulfonylbenzamide
CID 10735529
N-(diaminomethylidene)-2-methyl-4-(4-methylimidazol-1-yl)-5-methylsulfonylbenzamide
CID 10759231
N-(diaminomethylidene)-4-imidazol-1-yl-2-methyl-5-methylsulfonylbenzamide
CID 10782013
2-(4-(methylsulfonyl)phenylamino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide
CID 25165474
N'-(3,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 2696880
3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24979444
1-[(2-methylsulfonylphenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 56671942
N-(4-(ethylsulfonyl)benzyl)-1-((1-(2,2,2-trifluoroethyl)piperidin-4-
CID 130277923
1-ethyl-N-(4-(ethylsulfonyl)benzyl)-2-(4-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide
CID 130432839

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide (CID 10547195) is 4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide is Cc1cc(-n2cnc3ccccc32)c(S(C)(=O)=O)cc1C(=O)N=C(N)N.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is OJSNDNLRRPOXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-10-7-14(22-9-20-12-5-3-4-6-13(12)22)15(26(2,24)25)8-11(10)16(23)21-17(18)19/h3-9H,1-2H3,(H4,18,19,21,23).
What are the key properties of 4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide?
4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 371.42 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 10547195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).