N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide

C17H19N3OS — CID 51711691

IUPACN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide
SMILESCc1nc2ccccc2n1CCCNC(=O)Cc1cccs1
InChIInChI=1S/C17H19N3OS/c1-13-19-15-7-2-3-8-16(15)20(13)10-5-9-18-17(21)12-14-6-4-11-22-14/h2-4,6-8,11H,5,9-10,12H2,1H3,(H,18,21)
InChIKeyBSHBYFQGDDKQJS-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.16
Rot. Bonds6

About N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide (PubChem CID 51711691) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide
PubChem CID51711691
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide
SMILESCc1nc2ccccc2n1CCCNC(=O)Cc1cccs1
InChIInChI=1S/C17H19N3OS/c1-13-19-15-7-2-3-8-16(15)20(13)10-5-9-18-17(21)12-14-6-4-11-22-14/h2-4,6-8,11H,5,9-10,12H2,1H3,(H,18,21)
InChIKeyBSHBYFQGDDKQJS-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide 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

2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28712943
N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide
CID 90500614
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
CID 46519962
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47082344
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 5080463
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340390
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 51336912
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 22110735
4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 134036907
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 46514997

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide (CID 51711691) is N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide is Cc1nc2ccccc2n1CCCNC(=O)Cc1cccs1.
What is the InChIKey of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide?
The InChIKey is BSHBYFQGDDKQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-13-19-15-7-2-3-8-16(15)20(13)10-5-9-18-17(21)12-14-6-4-11-22-14/h2-4,6-8,11H,5,9-10,12H2,1H3,(H,18,21).
What are the key properties of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide?
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide has a molecular weight of 313.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 51711691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).