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

C17H23N3O3S — CID 121415808

IUPAC3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(CC2(C)CC2)c2ccc(S(=O)(=O)NC3(C)CC3)cc21
InChIInChI=1S/C17H23N3O3S/c1-16(6-7-16)11-20-13-5-4-12(10-14(13)19(3)15(20)21)24(22,23)18-17(2)8-9-17/h4-5,10,18H,6-9,11H2,1-3H3
InChIKeyGAYFOPHCTDHHIW-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.97
Rot. Bonds5

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

3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide (PubChem CID 121415808) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide
PubChem CID121415808
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(CC2(C)CC2)c2ccc(S(=O)(=O)NC3(C)CC3)cc21
InChIInChI=1S/C17H23N3O3S/c1-16(6-7-16)11-20-13-5-4-12(10-14(13)19(3)15(20)21)24(22,23)18-17(2)8-9-17/h4-5,10,18H,6-9,11H2,1-3H3
InChIKeyGAYFOPHCTDHHIW-UHFFFAOYSA-N
XLogP1.97
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclopropylethyl)-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
CID 121415781
3-methyl-N-(1-methylcyclopropyl)-1-[(2-methylpyrazol-3-yl)methyl]-2-oxobenzimidazole-5-sulfonamide
CID 135205664
2-methyl-N-[1-[(1-methylcyclopropyl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]prop-2-enamide
CID 169187303
3-methyl-N-(1-methylcyclopropyl)-1-(2-methylpropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398247
1-benzyl-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398822
1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398699
3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398413
1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylimidazol-2-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398716
1-methyl-N-(1-methylcyclopropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398173
1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 134183410
1-methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 134169692
1-methyl-N-(1-methylcyclopropyl)-3-[(5-methyl-3-pyridinyl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121404626

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide (CID 121415808) is 3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide is Cn1c(=O)n(CC2(C)CC2)c2ccc(S(=O)(=O)NC3(C)CC3)cc21.
What is the InChIKey of 3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is GAYFOPHCTDHHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-16(6-7-16)11-20-13-5-4-12(10-14(13)19(3)15(20)21)24(22,23)18-17(2)8-9-17/h4-5,10,18H,6-9,11H2,1-3H3.
What are the key properties of 3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide?
3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 121415808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).