N,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide

C13H17N3OS — CID 114041568

IUPACN,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide
SMILESCc1cccc2c1[nH]c(=S)n2CCC(=O)N(C)C
InChIInChI=1S/C13H17N3OS/c1-9-5-4-6-10-12(9)14-13(18)16(10)8-7-11(17)15(2)3/h4-6H,7-8H2,1-3H3,(H,14,18)
InChIKeyPRBLUNHYAUYMBY-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.49
Rot. Bonds3

About N,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide

N,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide (PubChem CID 114041568) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide
PubChem CID114041568
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide
SMILESCc1cccc2c1[nH]c(=S)n2CCC(=O)N(C)C
InChIInChI=1S/C13H17N3OS/c1-9-5-4-6-10-12(9)14-13(18)16(10)8-7-11(17)15(2)3/h4-6H,7-8H2,1-3H3,(H,14,18)
InChIKeyPRBLUNHYAUYMBY-UHFFFAOYSA-N
XLogP2.49
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-(2-sulfanylidene-3H-benzimidazol-1-yl)propanamide
CID 55206777
N,N-dimethyl-2-(7-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide
CID 113333924
3-[2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)ethyl]-1,1-dimethylurea
CID 83114777
N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
CID 79287910
7-methyl-3-(pyridin-4-ylmethyl)-1H-benzimidazole-2-thione
CID 114041539
3-(4-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)-N-propan-2-ylpropanamide
CID 104836650
3-(furan-3-ylmethyl)-7-methyl-1H-benzimidazole-2-thione
CID 114041617
5-(4-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)pentanamide
CID 106235969
N,N-dimethyl-3-(3-oxo-5-sulfanylidene-1,2,4-triazolidin-4-yl)propanamide
CID 62898214
7-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)-1H-benzimidazole-2-thione
CID 114184738
3-(4-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 104836653
3-(4-cyano-2-sulfanylidene-3H-benzimidazol-1-yl)-N-(2-methylpropyl)propanamide
CID 104718568

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide?
The IUPAC name of N,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide (CID 114041568) is N,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide?
The canonical SMILES for N,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide is Cc1cccc2c1[nH]c(=S)n2CCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide?
The InChIKey is PRBLUNHYAUYMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-5-4-6-10-12(9)14-13(18)16(10)8-7-11(17)15(2)3/h4-6H,7-8H2,1-3H3,(H,14,18).
What are the key properties of N,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide?
N,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide has a molecular weight of 263.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide is sourced from PubChem (CID 114041568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).