2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide

C19H21N3OS — CID 25330591

IUPAC2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide
SMILESCC(C)CSc1nc2ccccc2n1CC(=O)Nc1ccccc1
InChIInChI=1S/C19H21N3OS/c1-14(2)13-24-19-21-16-10-6-7-11-17(16)22(19)12-18(23)20-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,23)
InChIKeyNTOOPPMVMQMUFO-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.42
Rot. Bonds6

About 2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide

2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide (PubChem CID 25330591) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide
PubChem CID25330591
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide
SMILESCC(C)CSc1nc2ccccc2n1CC(=O)Nc1ccccc1
InChIInChI=1S/C19H21N3OS/c1-14(2)13-24-19-21-16-10-6-7-11-17(16)22(19)12-18(23)20-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,23)
InChIKeyNTOOPPMVMQMUFO-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide 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-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
N-[4-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]-3-methylbutanamide
CID 46543245
2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide
CID 17027908
2-(2-aminobenzimidazol-1-yl)-N-phenylacetamide
CID 82358872
2-[1-[2-(methylamino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetic acid
CID 43310650
N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171496
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide
CID 39953718
N-[1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 3949916
N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347549
2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide
CID 1153553
2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetic acid
CID 28830585

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide (CID 25330591) is 2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide is CC(C)CSc1nc2ccccc2n1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide?
The InChIKey is NTOOPPMVMQMUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14(2)13-24-19-21-16-10-6-7-11-17(16)22(19)12-18(23)20-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,23).
What are the key properties of 2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide?
2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide has a molecular weight of 339.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 25330591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).