N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

C21H21N5O4S — CID 25351275

IUPACN-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCOc1ccc([C@@]2(C)NC(=O)N(NC(=O)CSc3nc4ccccc4n3C)C2=O)cc1
InChIInChI=1S/C21H21N5O4S/c1-21(13-8-10-14(30-3)11-9-13)18(28)26(19(29)23-21)24-17(27)12-31-20-22-15-6-4-5-7-16(15)25(20)2/h4-11H,12H2,1-3H3,(H,23,29)(H,24,27)/t21-/m1/s1
InChIKeyYHCVUSORLKDIGS-OAQYLSRUSA-N
MW439.50 g/mol
LogP2.17
Rot. Bonds6

About N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 25351275) has the molecular formula C21H21N5O4S and a molecular weight of 439.50 g/mol. Its IUPAC name is N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID25351275
Molecular FormulaC21H21N5O4S
Molecular Weight439.50 g/mol
Exact Mass439.13
IUPAC NameN-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCOc1ccc([C@@]2(C)NC(=O)N(NC(=O)CSc3nc4ccccc4n3C)C2=O)cc1
InChIInChI=1S/C21H21N5O4S/c1-21(13-8-10-14(30-3)11-9-13)18(28)26(19(29)23-21)24-17(27)12-31-20-22-15-6-4-5-7-16(15)25(20)2/h4-11H,12H2,1-3H3,(H,23,29)(H,24,27)/t21-/m1/s1
InChIKeyYHCVUSORLKDIGS-OAQYLSRUSA-N
XLogP2.17
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)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

2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42885091
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42927432
N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 41472125
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43004534
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 92786814
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 55400511
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide
CID 39968529
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 55446432
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24565024
N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 21226926
(4-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8793202
N-(4-methoxyphenyl)-2-[methyl-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]acetamide
CID 8002588

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (CID 25351275) is N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CSc3nc4ccccc4n3C)C2=O)cc1.
What is the InChIKey of N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is YHCVUSORLKDIGS-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21N5O4S/c1-21(13-8-10-14(30-3)11-9-13)18(28)26(19(29)23-21)24-17(27)12-31-20-22-15-6-4-5-7-16(15)25(20)2/h4-11H,12H2,1-3H3,(H,23,29)(H,24,27)/t21-/m1/s1.
What are the key properties of N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 439.50 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 25351275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).