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

C16H19F2N3O3S — CID 121415742

IUPAC1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(CC2CC2(F)F)c2ccc(S(=O)(=O)NC3(C)CC3)cc21
InChIInChI=1S/C16H19F2N3O3S/c1-15(5-6-15)19-25(23,24)11-3-4-12-13(7-11)20(2)14(22)21(12)9-10-8-16(10,17)18/h3-4,7,10,19H,5-6,8-9H2,1-2H3
InChIKeyZUQCQBRBHVLGLM-UHFFFAOYSA-N
MW371.41 g/mol
LogP1.83
Rot. Bonds5

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

1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide (PubChem CID 121415742) has the molecular formula C16H19F2N3O3S and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
PubChem CID121415742
Molecular FormulaC16H19F2N3O3S
Molecular Weight371.41 g/mol
Exact Mass371.11
IUPAC Name1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(CC2CC2(F)F)c2ccc(S(=O)(=O)NC3(C)CC3)cc21
InChIInChI=1S/C16H19F2N3O3S/c1-15(5-6-15)19-25(23,24)11-3-4-12-13(7-11)20(2)14(22)21(12)9-10-8-16(10,17)18/h3-4,7,10,19H,5-6,8-9H2,1-2H3
InChIKeyZUQCQBRBHVLGLM-UHFFFAOYSA-N
XLogP1.83
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide (CID 121415742) is 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide is Cn1c(=O)n(CC2CC2(F)F)c2ccc(S(=O)(=O)NC3(C)CC3)cc21.
What is the InChIKey of 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is ZUQCQBRBHVLGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3S/c1-15(5-6-15)19-25(23,24)11-3-4-12-13(7-11)20(2)14(22)21(12)9-10-8-16(10,17)18/h3-4,7,10,19H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide?
1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 371.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 121415742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).