N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C26H22N4O3S — CID 41203365

IUPACN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1=O
InChIInChI=1S/C26H22N4O3S/c1-26(18-7-3-2-4-8-18)24(32)30(25(33)29-26)16-22(31)27-19-13-11-17(12-14-19)15-23-28-20-9-5-6-10-21(20)34-23/h2-14H,15-16H2,1H3,(H,27,31)(H,29,33)/t26-/m1/s1
InChIKeyXCWZZXULNHXTNI-AREMUKBSSA-N
MW470.55 g/mol
LogP4.29
Rot. Bonds6

About N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 41203365) has the molecular formula C26H22N4O3S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID41203365
Molecular FormulaC26H22N4O3S
Molecular Weight470.55 g/mol
Exact Mass470.14
IUPAC NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1=O
InChIInChI=1S/C26H22N4O3S/c1-26(18-7-3-2-4-8-18)24(32)30(25(33)29-26)16-22(31)27-19-13-11-17(12-14-19)15-23-28-20-9-5-6-10-21(20)34-23/h2-14H,15-16H2,1H3,(H,27,31)(H,29,33)/t26-/m1/s1
InChIKeyXCWZZXULNHXTNI-AREMUKBSSA-N
XLogP4.29
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41203363
N-(4-bromophenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580352
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 2580694
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868570
2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-phenylacetamide
CID 17467243
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 42997995
N-(3-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2710976
1,3-benzothiazol-2-ylmethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7709452
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 17437736
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 171835845
N-(1H-benzimidazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7999180
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55332030

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 41203365) is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1=O.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is XCWZZXULNHXTNI-AREMUKBSSA-N. The full InChI is InChI=1S/C26H22N4O3S/c1-26(18-7-3-2-4-8-18)24(32)30(25(33)29-26)16-22(31)27-19-13-11-17(12-14-19)15-23-28-20-9-5-6-10-21(20)34-23/h2-14H,15-16H2,1H3,(H,27,31)(H,29,33)/t26-/m1/s1.
What are the key properties of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 470.55 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 41203365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).