1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide

C19H20N4O3S — CID 4780765

IUPAC1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide
SMILESCCCCn1c(COc2ccccc2C#N)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C19H20N4O3S/c1-2-3-10-23-17-9-8-15(27(21,24)25)11-16(17)22-19(23)13-26-18-7-5-4-6-14(18)12-20/h4-9,11H,2-3,10,13H2,1H3,(H2,21,24,25)
InChIKeyCSNOESFFCXJMQL-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.93
Rot. Bonds7

About 1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide

1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide (PubChem CID 4780765) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide
PubChem CID4780765
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide
SMILESCCCCn1c(COc2ccccc2C#N)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C19H20N4O3S/c1-2-3-10-23-17-9-8-15(27(21,24)25)11-16(17)22-19(23)13-26-18-7-5-4-6-14(18)12-20/h4-9,11H,2-3,10,13H2,1H3,(H2,21,24,25)
InChIKeyCSNOESFFCXJMQL-UHFFFAOYSA-N
XLogP2.93
TPSA111.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-bromophenoxy)methyl]-1-butylbenzimidazole-5-sulfonamide
CID 38895198
2-[(2-cyanophenoxy)methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide
CID 39795045
1-butyl-2-[(2-cyanophenyl)methylsulfanyl]benzimidazole-5-sulfonamide
CID 7506824
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 43026046
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-hydroxy-3-methylbenzoate
CID 40709893
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-(4-fluorophenyl)propanoate
CID 18225646
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 1H-indazole-3-carboxylate
CID 29351454
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-chloro-4-nitrobenzoate
CID 29349929
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 4-chloro-1H-pyrrole-2-carboxylate
CID 18123005
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate
CID 32512230
2-[(2-acetylphenoxy)methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide
CID 112819009
(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 42918344

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide?
The IUPAC name of 1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide (CID 4780765) is 1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide.
What is the SMILES notation for 1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide?
The canonical SMILES for 1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide is CCCCn1c(COc2ccccc2C#N)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide?
The InChIKey is CSNOESFFCXJMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-2-3-10-23-17-9-8-15(27(21,24)25)11-16(17)22-19(23)13-26-18-7-5-4-6-14(18)12-20/h4-9,11H,2-3,10,13H2,1H3,(H2,21,24,25).
What are the key properties of 1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide?
1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide has a molecular weight of 384.46 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[(2-cyanophenoxy)methyl]benzimidazole-5-sulfonamide is sourced from PubChem (CID 4780765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).