N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

C22H26N4O2S — CID 24576550

IUPACN-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCCOc1ccc2nc(SCC(=O)NC3CCN(Cc4ccccc4)C3)[nH]c2c1
InChIInChI=1S/C22H26N4O2S/c1-2-28-18-8-9-19-20(12-18)25-22(24-19)29-15-21(27)23-17-10-11-26(14-17)13-16-6-4-3-5-7-16/h3-9,12,17H,2,10-11,13-15H2,1H3,(H,23,27)(H,24,25)
InChIKeyMKMBDFUTTSAREI-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.44
Rot. Bonds8

About N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 24576550) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID24576550
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCCOc1ccc2nc(SCC(=O)NC3CCN(Cc4ccccc4)C3)[nH]c2c1
InChIInChI=1S/C22H26N4O2S/c1-2-28-18-8-9-19-20(12-18)25-22(24-19)29-15-21(27)23-17-10-11-26(14-17)13-16-6-4-3-5-7-16/h3-9,12,17H,2,10-11,13-15H2,1H3,(H,23,27)(H,24,25)
InChIKeyMKMBDFUTTSAREI-UHFFFAOYSA-N
XLogP3.44
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide 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-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 18201104
N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 46684567
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 616694
N-cyclopentyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 950856
(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
CID 41037870
N-(benzylcarbamoyl)-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 24681484
2-N',6-N'-bis[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]naphthalene-2,6-dicarbohydrazide
CID 17325057
N-(3-acetylphenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1205153
1-(azocan-1-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 9018991
N-[4-[chloro(difluoro)methoxy]phenyl]-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1044749
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 40555975
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 2651947

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 24576550) is N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is CCOc1ccc2nc(SCC(=O)NC3CCN(Cc4ccccc4)C3)[nH]c2c1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is MKMBDFUTTSAREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-2-28-18-8-9-19-20(12-18)25-22(24-19)29-15-21(27)23-17-10-11-26(14-17)13-16-6-4-3-5-7-16/h3-9,12,17H,2,10-11,13-15H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 24576550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).