4-methyl-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide

C19H18N4O2S — CID 1051134

IUPAC4-methyl-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3nc(-c4cccn4C)[nH]c3c2)cc1
InChIInChI=1S/C19H18N4O2S/c1-13-5-8-15(9-6-13)26(24,25)22-14-7-10-16-17(12-14)21-19(20-16)18-4-3-11-23(18)2/h3-12,22H,1-2H3,(H,20,21)
InChIKeyQVQGHWGGPSPHNZ-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.68
Rot. Bonds4

About 4-methyl-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide

4-methyl-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 1051134) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID1051134
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name4-methyl-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3nc(-c4cccn4C)[nH]c3c2)cc1
InChIInChI=1S/C19H18N4O2S/c1-13-5-8-15(9-6-13)26(24,25)22-14-7-10-16-17(12-14)21-19(20-16)18-4-3-11-23(18)2/h3-12,22H,1-2H3,(H,20,21)
InChIKeyQVQGHWGGPSPHNZ-UHFFFAOYSA-N
XLogP3.68
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide (CID 1051134) is 4-methyl-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3nc(-c4cccn4C)[nH]c3c2)cc1.
What is the InChIKey of 4-methyl-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is QVQGHWGGPSPHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13-5-8-15(9-6-13)26(24,25)22-14-7-10-16-17(12-14)21-19(20-16)18-4-3-11-23(18)2/h3-12,22H,1-2H3,(H,20,21).
What are the key properties of 4-methyl-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide?
4-methyl-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 366.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 1051134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).