1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide

C19H23N3O3S — CID 1248078

IUPAC1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccccc3C)c(C)cc21
InChIInChI=1S/C19H23N3O3S/c1-5-21-16-11-14(4)18(12-17(16)22(6-2)19(21)23)26(24,25)20-15-10-8-7-9-13(15)3/h7-12,20H,5-6H2,1-4H3
InChIKeyWCRQIQPTWOLLQK-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.26
Rot. Bonds5

About 1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide

1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide (PubChem CID 1248078) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
PubChem CID1248078
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccccc3C)c(C)cc21
InChIInChI=1S/C19H23N3O3S/c1-5-21-16-11-14(4)18(12-17(16)22(6-2)19(21)23)26(24,25)20-15-10-8-7-9-13(15)3/h7-12,20H,5-6H2,1-4H3
InChIKeyWCRQIQPTWOLLQK-UHFFFAOYSA-N
XLogP3.26
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide (CID 1248078) is 1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide is CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccccc3C)c(C)cc21.
What is the InChIKey of 1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is WCRQIQPTWOLLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-5-21-16-11-14(4)18(12-17(16)22(6-2)19(21)23)26(24,25)20-15-10-8-7-9-13(15)3/h7-12,20H,5-6H2,1-4H3.
What are the key properties of 1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide?
1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 1248078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).