4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide

C26H23N5O2S — CID 11113432

IUPAC4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cc2nc3cc(NS(=O)(=O)c4ccc5ccccc5c4)ccc3n2C)cc1
InChIInChI=1S/C26H23N5O2S/c1-31-24-13-11-21(30-34(32,33)22-12-10-18-4-2-3-5-20(18)15-22)16-23(24)29-25(31)14-17-6-8-19(9-7-17)26(27)28/h2-13,15-16,30H,14H2,1H3,(H3,27,28)
InChIKeySGSLVQYAGBCGFJ-UHFFFAOYSA-N
MW469.57 g/mol
LogP4.40
Rot. Bonds6

About 4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide

4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide (PubChem CID 11113432) has the molecular formula C26H23N5O2S and a molecular weight of 469.57 g/mol. Its IUPAC name is 4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide
PubChem CID11113432
Molecular FormulaC26H23N5O2S
Molecular Weight469.57 g/mol
Exact Mass469.16
IUPAC Name4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cc2nc3cc(NS(=O)(=O)c4ccc5ccccc5c4)ccc3n2C)cc1
InChIInChI=1S/C26H23N5O2S/c1-31-24-13-11-21(30-34(32,33)22-12-10-18-4-2-3-5-20(18)15-22)16-23(24)29-25(31)14-17-6-8-19(9-7-17)26(27)28/h2-13,15-16,30H,14H2,1H3,(H3,27,28)
InChIKeySGSLVQYAGBCGFJ-UHFFFAOYSA-N
XLogP4.40
TPSA113.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 54.40
H-Bond Donors ≤ 53
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

4-[[1-methyl-5-(pyridin-3-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide
CID 10873499
4-[[7-(benzenesulfonamido)-4-methyl-3-oxoquinoxalin-2-yl]methyl]benzenecarboximidamide;hydrochloride
CID 21250266
ethyl 2-[6-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]benzimidazol-1-yl]acetate
CID 23302430
4-[2-[5-[[4-[2-(2-benzylpiperidin-1-yl)-2-oxoethyl]naphthalen-2-yl]sulfonylamino]-1-methylbenzimidazol-2-yl]ethyl]benzenecarboximidamide
CID 139946120
ethyl 2-[6-(benzenesulfonamido)-2-[(4-carbamimidoylphenyl)methyl]benzimidazol-1-yl]acetate;hydrochloride
CID 23302429
4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride
CID 23302532
4-[[5-[cyclohexyl(methylsulfonyl)amino]-1-methylbenzimidazol-2-yl]methyl]benzenecarboximidamide;hydrochloride
CID 158568271
4-[[1-methyl-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]methyl]benzenecarboximidamide;hydrochloride
CID 23302881
2-[(4-carbamimidoylphenyl)methyl]-N,1-dimethyl-N-pyridin-3-ylbenzimidazole-5-carboxamide;hydrochloride
CID 23302227
ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]sulfonyl-ethylamino]propanoate;hydrochloride
CID 23302682
2-(4-carbamimidoylphenoxy)-5-(naphthalen-2-ylsulfonylamino)benzoic acid
CID 22380942
2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]sulfamoyl]-2-cyclopentylacetic acid;hydrochloride
CID 21250430

Frequently Asked Questions

What is the IUPAC name of 4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide (CID 11113432) is 4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cc2nc3cc(NS(=O)(=O)c4ccc5ccccc5c4)ccc3n2C)cc1.
What is the InChIKey of 4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide?
The InChIKey is SGSLVQYAGBCGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2S/c1-31-24-13-11-21(30-34(32,33)22-12-10-18-4-2-3-5-20(18)15-22)16-23(24)29-25(31)14-17-6-8-19(9-7-17)26(27)28/h2-13,15-16,30H,14H2,1H3,(H3,27,28).
What are the key properties of 4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide?
4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide has a molecular weight of 469.57 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-methyl-5-(naphthalen-2-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 11113432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).