N-(2-methylphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]acetamide

C19H21N3O2S — CID 2079361

IUPACN-(2-methylphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]acetamide
SMILESCc1ccccc1NC(=O)CSCCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C19H21N3O2S/c1-14-7-2-3-8-15(14)20-18(23)13-25-12-6-11-22-17-10-5-4-9-16(17)21-19(22)24/h2-5,7-10H,6,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyLDFWVZZSMWSLSI-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.40
Rot. Bonds7

About N-(2-methylphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]acetamide

N-(2-methylphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]acetamide (PubChem CID 2079361) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]acetamide
PubChem CID2079361
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(2-methylphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]acetamide
SMILESCc1ccccc1NC(=O)CSCCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C19H21N3O2S/c1-14-7-2-3-8-15(14)20-18(23)13-25-12-6-11-22-17-10-5-4-9-16(17)21-19(22)24/h2-5,7-10H,6,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyLDFWVZZSMWSLSI-UHFFFAOYSA-N
XLogP3.40
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]acetamide (CID 2079361) is N-(2-methylphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]acetamide is Cc1ccccc1NC(=O)CSCCCn1c(=O)[nH]c2ccccc21.
What is the InChIKey of N-(2-methylphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]acetamide?
The InChIKey is LDFWVZZSMWSLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14-7-2-3-8-15(14)20-18(23)13-25-12-6-11-22-17-10-5-4-9-16(17)21-19(22)24/h2-5,7-10H,6,11-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-methylphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]acetamide?
N-(2-methylphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]acetamide is sourced from PubChem (CID 2079361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).