2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide

C19H19N3O3S — CID 1273164

IUPAC2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2nc3ccccc3n2C(C)=O)cc1
InChIInChI=1S/C19H19N3O3S/c1-13(23)22-17-6-4-3-5-16(17)21-19(22)26-12-18(24)20-11-14-7-9-15(25-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,20,24)
InChIKeyPMWFJPZDELVPGJ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.11
Rot. Bonds6

About 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide

2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 1273164) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID1273164
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2nc3ccccc3n2C(C)=O)cc1
InChIInChI=1S/C19H19N3O3S/c1-13(23)22-17-6-4-3-5-16(17)21-19(22)26-12-18(24)20-11-14-7-9-15(25-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,20,24)
InChIKeyPMWFJPZDELVPGJ-UHFFFAOYSA-N
XLogP3.11
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 1273164) is 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CSc2nc3ccccc3n2C(C)=O)cc1.
What is the InChIKey of 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is PMWFJPZDELVPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13(23)22-17-6-4-3-5-16(17)21-19(22)26-12-18(24)20-11-14-7-9-15(25-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,20,24).
What are the key properties of 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 1273164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).