1-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazol-2-yl)benzimidazole-5-sulfonamide

C15H16N4O3S2 — CID 135205303

IUPAC1-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazol-2-yl)benzimidazole-5-sulfonamide
SMILESCn1c(=O)n(-c2nccs2)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
InChIInChI=1S/C15H16N4O3S2/c1-15(5-6-15)17-24(21,22)10-3-4-11-12(9-10)19(14(20)18(11)2)13-16-7-8-23-13/h3-4,7-9,17H,5-6H2,1-2H3
InChIKeyCLARHILZOYYMEW-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.62
Rot. Bonds4

About 1-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazol-2-yl)benzimidazole-5-sulfonamide

1-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazol-2-yl)benzimidazole-5-sulfonamide (PubChem CID 135205303) has the molecular formula C15H16N4O3S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazol-2-yl)benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazol-2-yl)benzimidazole-5-sulfonamide
PubChem CID135205303
Molecular FormulaC15H16N4O3S2
Molecular Weight364.45 g/mol
Exact Mass364.07
IUPAC Name1-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazol-2-yl)benzimidazole-5-sulfonamide
SMILESCn1c(=O)n(-c2nccs2)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
InChIInChI=1S/C15H16N4O3S2/c1-15(5-6-15)17-24(21,22)10-3-4-11-12(9-10)19(14(20)18(11)2)13-16-7-8-23-13/h3-4,7-9,17H,5-6H2,1-2H3
InChIKeyCLARHILZOYYMEW-UHFFFAOYSA-N
XLogP1.62
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazol-2-yl)benzimidazole-5-sulfonamide?
The IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazol-2-yl)benzimidazole-5-sulfonamide (CID 135205303) is 1-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazol-2-yl)benzimidazole-5-sulfonamide.
What is the SMILES notation for 1-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazol-2-yl)benzimidazole-5-sulfonamide?
The canonical SMILES for 1-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazol-2-yl)benzimidazole-5-sulfonamide is Cn1c(=O)n(-c2nccs2)c2cc(S(=O)(=O)NC3(C)CC3)ccc21.
What is the InChIKey of 1-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazol-2-yl)benzimidazole-5-sulfonamide?
The InChIKey is CLARHILZOYYMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S2/c1-15(5-6-15)17-24(21,22)10-3-4-11-12(9-10)19(14(20)18(11)2)13-16-7-8-23-13/h3-4,7-9,17H,5-6H2,1-2H3.
What are the key properties of 1-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazol-2-yl)benzimidazole-5-sulfonamide?
1-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazol-2-yl)benzimidazole-5-sulfonamide has a molecular weight of 364.45 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,3-thiazol-2-yl)benzimidazole-5-sulfonamide is sourced from PubChem (CID 135205303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).