N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide

C10H11N3OS — CID 11356474

IUPACN-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2nc(SC)[nH]c2c1
InChIInChI=1S/C10H11N3OS/c1-11-9(14)6-3-4-7-8(5-6)13-10(12-7)15-2/h3-5H,1-2H3,(H,11,14)(H,12,13)
InChIKeyADZLEZZMOOOUGH-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.64
Rot. Bonds2

About N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide

N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide (PubChem CID 11356474) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide
PubChem CID11356474
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC NameN-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2nc(SC)[nH]c2c1
InChIInChI=1S/C10H11N3OS/c1-11-9(14)6-3-4-7-8(5-6)13-10(12-7)15-2/h3-5H,1-2H3,(H,11,14)(H,12,13)
InChIKeyADZLEZZMOOOUGH-UHFFFAOYSA-N
XLogP1.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 83949197
3,5-difluoro-N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 141300456
2-(1-amino-1-oxopropan-2-yl)sulfanyl-3H-benzimidazole-5-carboxylic acid
CID 84615024
2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 79217746
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
N-[(Z)-(2-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide
CID 110523066
N-[(Z)-(4-methylphenyl)methylideneamino]-2-propan-2-ylsulfanyl-3H-benzimidazole-5-carboxamide
CID 110523076
2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690183
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzamide
CID 728051
2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
3-fluoro-N-methyl-4-methylsulfanylbenzamide
CID 149067923

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide (CID 11356474) is N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide is CNC(=O)c1ccc2nc(SC)[nH]c2c1.
What is the InChIKey of N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide?
The InChIKey is ADZLEZZMOOOUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-11-9(14)6-3-4-7-8(5-6)13-10(12-7)15-2/h3-5H,1-2H3,(H,11,14)(H,12,13).
What are the key properties of N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide?
N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide has a molecular weight of 221.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11356474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).