N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide

C18H20N4O3S — CID 74238376

IUPACN,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)NCc2nc3ccccc3n2C)c1
InChIInChI=1S/C18H20N4O3S/c1-21(2)18(23)13-7-6-8-14(11-13)26(24,25)19-12-17-20-15-9-4-5-10-16(15)22(17)3/h4-11,19H,12H2,1-3H3
InChIKeyRNHLSPPYZARGPF-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.75
Rot. Bonds5

About N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide

N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide (PubChem CID 74238376) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide
PubChem CID74238376
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)NCc2nc3ccccc3n2C)c1
InChIInChI=1S/C18H20N4O3S/c1-21(2)18(23)13-7-6-8-14(11-13)26(24,25)19-12-17-20-15-9-4-5-10-16(15)22(17)3/h4-11,19H,12H2,1-3H3
InChIKeyRNHLSPPYZARGPF-UHFFFAOYSA-N
XLogP1.75
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide (CID 74238376) is N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide is CN(C)C(=O)c1cccc(S(=O)(=O)NCc2nc3ccccc3n2C)c1.
What is the InChIKey of N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide?
The InChIKey is RNHLSPPYZARGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-21(2)18(23)13-7-6-8-14(11-13)26(24,25)19-12-17-20-15-9-4-5-10-16(15)22(17)3/h4-11,19H,12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide?
N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide has a molecular weight of 372.45 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide is sourced from PubChem (CID 74238376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).