N-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C20H19N5O3 — CID 51572716

IUPACN-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nc3ccccc3[nH]2)C1=O
InChIInChI=1S/C20H19N5O3/c1-2-20(13-8-4-3-5-9-13)17(27)25(19(28)24-20)12-16(26)23-18-21-14-10-6-7-11-15(14)22-18/h3-11H,2,12H2,1H3,(H,24,28)(H2,21,22,23,26)/t20-/m0/s1
InChIKeyZHVXUFGWSIQGBI-FQEVSTJZSA-N
MW377.40 g/mol
LogP2.36
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 51572716) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID51572716
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nc3ccccc3[nH]2)C1=O
InChIInChI=1S/C20H19N5O3/c1-2-20(13-8-4-3-5-9-13)17(27)25(19(28)24-20)12-16(26)23-18-21-14-10-6-7-11-15(14)22-18/h3-11H,2,12H2,1H3,(H,24,28)(H2,21,22,23,26)/t20-/m0/s1
InChIKeyZHVXUFGWSIQGBI-FQEVSTJZSA-N
XLogP2.36
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7999180
N-(1H-benzimidazol-2-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 27649331
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-pyridin-3-ylacetamide
CID 31541792
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-propylphenyl)acetamide
CID 24565803
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7179860
4-[[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 2582874
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methylsulfonylphenyl)acetamide
CID 55411899
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 7242663

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 51572716) is N-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nc3ccccc3[nH]2)C1=O.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is ZHVXUFGWSIQGBI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-2-20(13-8-4-3-5-9-13)17(27)25(19(28)24-20)12-16(26)23-18-21-14-10-6-7-11-15(14)22-18/h3-11H,2,12H2,1H3,(H,24,28)(H2,21,22,23,26)/t20-/m0/s1.
What are the key properties of N-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 51572716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).