N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide

C19H21N3OS — CID 18086685

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCCn1c(CNC(=O)CSc2ccccc2C)nc2ccccc21
InChIInChI=1S/C19H21N3OS/c1-3-22-16-10-6-5-9-15(16)21-18(22)12-20-19(23)13-24-17-11-7-4-8-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyQPLSGNLHSXRYKQ-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.77
Rot. Bonds6

About N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 18086685) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide
PubChem CID18086685
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCCn1c(CNC(=O)CSc2ccccc2C)nc2ccccc21
InChIInChI=1S/C19H21N3OS/c1-3-22-16-10-6-5-9-15(16)21-18(22)12-20-19(23)13-24-17-11-7-4-8-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyQPLSGNLHSXRYKQ-UHFFFAOYSA-N
XLogP3.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide 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-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 55526851
N-(1H-benzimidazol-2-ylmethyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51143918
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
2-(2,6-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116699
2-(2,4-dimethylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116677
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 18142627
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
CID 60673139
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 55429806
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide
CID 49373016

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide (CID 18086685) is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide is CCn1c(CNC(=O)CSc2ccccc2C)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is QPLSGNLHSXRYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-3-22-16-10-6-5-9-15(16)21-18(22)12-20-19(23)13-24-17-11-7-4-8-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,20,23).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 339.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 18086685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).