1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide

C14H19N3O3S — CID 84596909

IUPAC1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide
SMILESCCC(CC)S(=O)(=O)NC(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H19N3O3S/c1-4-11(5-2)21(19,20)16-14(18)10-6-7-13-12(8-10)15-9-17(13)3/h6-9,11H,4-5H2,1-3H3,(H,16,18)
InChIKeyAIUGAQMFGPTFPE-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.82
Rot. Bonds5

About 1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide

1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide (PubChem CID 84596909) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide
PubChem CID84596909
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide
SMILESCCC(CC)S(=O)(=O)NC(=O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H19N3O3S/c1-4-11(5-2)21(19,20)16-14(18)10-6-7-13-12(8-10)15-9-17(13)3/h6-9,11H,4-5H2,1-3H3,(H,16,18)
InChIKeyAIUGAQMFGPTFPE-UHFFFAOYSA-N
XLogP1.82
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide (CID 84596909) is 1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide is CCC(CC)S(=O)(=O)NC(=O)c1ccc2c(c1)ncn2C.
What is the InChIKey of 1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide?
The InChIKey is AIUGAQMFGPTFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-11(5-2)21(19,20)16-14(18)10-6-7-13-12(8-10)15-9-17(13)3/h6-9,11H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide?
1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pentan-3-ylsulfonylbenzimidazole-5-carboxamide is sourced from PubChem (CID 84596909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).