N,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide

C12H15N3OS — CID 113333924

IUPACN,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide
SMILESCc1cccc2[nH]c(=S)n(CC(=O)N(C)C)c12
InChIInChI=1S/C12H15N3OS/c1-8-5-4-6-9-11(8)15(12(17)13-9)7-10(16)14(2)3/h4-6H,7H2,1-3H3,(H,13,17)
InChIKeyKYFHUQPRJOXIIG-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.10
Rot. Bonds2

About N,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide

N,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide (PubChem CID 113333924) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide
PubChem CID113333924
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide
SMILESCc1cccc2[nH]c(=S)n(CC(=O)N(C)C)c12
InChIInChI=1S/C12H15N3OS/c1-8-5-4-6-9-11(8)15(12(17)13-9)7-10(16)14(2)3/h4-6H,7H2,1-3H3,(H,13,17)
InChIKeyKYFHUQPRJOXIIG-UHFFFAOYSA-N
XLogP2.10
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide (CID 113333924) is N,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide is Cc1cccc2[nH]c(=S)n(CC(=O)N(C)C)c12.
What is the InChIKey of N,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide?
The InChIKey is KYFHUQPRJOXIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-5-4-6-9-11(8)15(12(17)13-9)7-10(16)14(2)3/h4-6H,7H2,1-3H3,(H,13,17).
What are the key properties of N,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide?
N,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide has a molecular weight of 249.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 113333924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).