N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide

C23H23N5O3S — CID 68789371

IUPACN-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide
SMILESCCCn1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)nc2cc(N)ccc21
InChIInChI=1S/C23H23N5O3S/c1-2-13-28-21-12-11-17(24)15-20(21)25-23(28)26-22(29)16-7-6-8-18(14-16)27-32(30,31)19-9-4-3-5-10-19/h3-12,14-15,27H,2,13,24H2,1H3,(H,25,26,29)
InChIKeyWGCIMOXZVQAOOD-UHFFFAOYSA-N
MW449.54 g/mol
LogP4.08
Rot. Bonds7

About N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide

N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide (PubChem CID 68789371) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide.

Molecular Properties

Compound NameN-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide
PubChem CID68789371
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide
SMILESCCCn1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)nc2cc(N)ccc21
InChIInChI=1S/C23H23N5O3S/c1-2-13-28-21-12-11-17(24)15-20(21)25-23(28)26-22(29)16-7-6-8-18(14-16)27-32(30,31)19-9-4-3-5-10-19/h3-12,14-15,27H,2,13,24H2,1H3,(H,25,26,29)
InChIKeyWGCIMOXZVQAOOD-UHFFFAOYSA-N
XLogP4.08
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[acetyl(methyl)amino]-1-propylbenzimidazol-2-yl]-3-(benzenesulfonamido)benzamide
CID 52918651
3-(benzenesulfonamido)-N-[5-(methylamino)-1-propylbenzimidazol-2-yl]benzamide;3-(benzenesulfonamido)-N-[5-[methyl(phenylcarbamoyl)amino]-1-propylbenzimidazol-2-yl]benzamide
CID 87576415
3-N-[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]benzene-1,3-dicarboxamide
CID 164600980
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide
CID 24601105
4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
CID 24628743
3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 37044059
3-(benzenesulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24686775
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
methyl 3-[2-[(3-aminobenzoyl)amino]benzimidazol-1-yl]propanoate
CID 68792716

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide?
The IUPAC name of N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide (CID 68789371) is N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide.
What is the SMILES notation for N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide?
The canonical SMILES for N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide is CCCn1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)nc2cc(N)ccc21.
What is the InChIKey of N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide?
The InChIKey is WGCIMOXZVQAOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-2-13-28-21-12-11-17(24)15-20(21)25-23(28)26-22(29)16-7-6-8-18(14-16)27-32(30,31)19-9-4-3-5-10-19/h3-12,14-15,27H,2,13,24H2,1H3,(H,25,26,29).
What are the key properties of N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide?
N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide has a molecular weight of 449.54 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide is sourced from PubChem (CID 68789371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).