3-methyl-N-(1-methylcyclopropyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide

C17H20N4O3S2 — CID 135205804

IUPAC3-methyl-N-(1-methylcyclopropyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ncc(Cn2c(=O)n(C)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)s1
InChIInChI=1S/C17H20N4O3S2/c1-11-18-9-12(25-11)10-21-14-5-4-13(8-15(14)20(3)16(21)22)26(23,24)19-17(2)6-7-17/h4-5,8-9,19H,6-7,10H2,1-3H3
InChIKeyMWLJTDCGUFRLDZ-UHFFFAOYSA-N
MW392.51 g/mol
LogP1.98
Rot. Bonds5

About 3-methyl-N-(1-methylcyclopropyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide

3-methyl-N-(1-methylcyclopropyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide (PubChem CID 135205804) has the molecular formula C17H20N4O3S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 3-methyl-N-(1-methylcyclopropyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(1-methylcyclopropyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide
PubChem CID135205804
Molecular FormulaC17H20N4O3S2
Molecular Weight392.51 g/mol
Exact Mass392.10
IUPAC Name3-methyl-N-(1-methylcyclopropyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide
SMILESCc1ncc(Cn2c(=O)n(C)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)s1
InChIInChI=1S/C17H20N4O3S2/c1-11-18-9-12(25-11)10-21-14-5-4-13(8-15(14)20(3)16(21)22)26(23,24)19-17(2)6-7-17/h4-5,8-9,19H,6-7,10H2,1-3H3
InChIKeyMWLJTDCGUFRLDZ-UHFFFAOYSA-N
XLogP1.98
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylcyclopropyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 3-methyl-N-(1-methylcyclopropyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide (CID 135205804) is 3-methyl-N-(1-methylcyclopropyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 3-methyl-N-(1-methylcyclopropyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 3-methyl-N-(1-methylcyclopropyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide is Cc1ncc(Cn2c(=O)n(C)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)s1.
What is the InChIKey of 3-methyl-N-(1-methylcyclopropyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is MWLJTDCGUFRLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S2/c1-11-18-9-12(25-11)10-21-14-5-4-13(8-15(14)20(3)16(21)22)26(23,24)19-17(2)6-7-17/h4-5,8-9,19H,6-7,10H2,1-3H3.
What are the key properties of 3-methyl-N-(1-methylcyclopropyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide?
3-methyl-N-(1-methylcyclopropyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 392.51 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylcyclopropyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 135205804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).