2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide

C23H27N3O3S — CID 3224836

IUPAC2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CSc1nc2ccccc2n1CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H27N3O3S/c1-5-23(2,3)25-21(28)15-30-22-24-18-8-6-7-9-19(18)26(22)14-20(27)16-10-12-17(29-4)13-11-16/h6-13H,5,14-15H2,1-4H3,(H,25,28)
InChIKeyLVIYFUJAKCERHU-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.32
Rot. Bonds9

About 2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide

2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide (PubChem CID 3224836) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
PubChem CID3224836
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CSc1nc2ccccc2n1CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H27N3O3S/c1-5-23(2,3)25-21(28)15-30-22-24-18-8-6-7-9-19(18)26(22)14-20(27)16-10-12-17(29-4)13-11-16/h6-13H,5,14-15H2,1-4H3,(H,25,28)
InChIKeyLVIYFUJAKCERHU-UHFFFAOYSA-N
XLogP4.32
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)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-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347549
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16500021
4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide
CID 42089104
N-(3,5-dimethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 1142140
N-[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide
CID 8023338
2-(2-ethylbenzimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 115572979
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 2850347
2-[1-[2-(methylamino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetic acid
CID 43310650
N-(3,5-dimethoxyphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347508
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenacylbenzimidazol-2-yl)sulfanylacetamide
CID 3224831
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 46731944
2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 46347555

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide (CID 3224836) is 2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CSc1nc2ccccc2n1CC(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is LVIYFUJAKCERHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-5-23(2,3)25-21(28)15-30-22-24-18-8-6-7-9-19(18)26(22)14-20(27)16-10-12-17(29-4)13-11-16/h6-13H,5,14-15H2,1-4H3,(H,25,28).
What are the key properties of 2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide?
2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 425.55 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 3224836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).