2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide

C20H19N5O3 — CID 124860705

IUPAC2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
SMILESCn1cnc2cc(NC(=O)C[C@H]3NC(=O)N(Cc4ccccc4)C3=O)ccc21
InChIInChI=1S/C20H19N5O3/c1-24-12-21-15-9-14(7-8-17(15)24)22-18(26)10-16-19(27)25(20(28)23-16)11-13-5-3-2-4-6-13/h2-9,12,16H,10-11H2,1H3,(H,22,26)(H,23,28)/t16-/m1/s1
InChIKeyDGNUHMHZCPSWPQ-MRXNPFEDSA-N
MW377.40 g/mol
LogP2.02
Rot. Bonds5

About 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide

2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide (PubChem CID 124860705) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
PubChem CID124860705
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
SMILESCn1cnc2cc(NC(=O)C[C@H]3NC(=O)N(Cc4ccccc4)C3=O)ccc21
InChIInChI=1S/C20H19N5O3/c1-24-12-21-15-9-14(7-8-17(15)24)22-18(26)10-16-19(27)25(20(28)23-16)11-13-5-3-2-4-6-13/h2-9,12,16H,10-11H2,1H3,(H,22,26)(H,23,28)/t16-/m1/s1
InChIKeyDGNUHMHZCPSWPQ-MRXNPFEDSA-N
XLogP2.02
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.02
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

2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
CID 71709403
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 91639594
2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110210445
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
CID 71754800
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide
CID 99871302
3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide
CID 91640478
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-6-yl)acetamide
CID 99871318
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 124860784
2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728536
N-(4-methoxyphenyl)-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871007
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide
CID 75490431
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide (CID 124860705) is 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide is Cn1cnc2cc(NC(=O)C[C@H]3NC(=O)N(Cc4ccccc4)C3=O)ccc21.
What is the InChIKey of 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide?
The InChIKey is DGNUHMHZCPSWPQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-24-12-21-15-9-14(7-8-17(15)24)22-18(26)10-16-19(27)25(20(28)23-16)11-13-5-3-2-4-6-13/h2-9,12,16H,10-11H2,1H3,(H,22,26)(H,23,28)/t16-/m1/s1.
What are the key properties of 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide?
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 124860705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).