2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide

C25H29N5O3 — CID 91821929

IUPAC2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
SMILESCC(C)n1c(CCNC(=O)CC2NC(=O)N(CCc3ccccc3)C2=O)nc2ccccc21
InChIInChI=1S/C25H29N5O3/c1-17(2)30-21-11-7-6-10-19(21)27-22(30)12-14-26-23(31)16-20-24(32)29(25(33)28-20)15-13-18-8-4-3-5-9-18/h3-11,17,20H,12-16H2,1-2H3,(H,26,31)(H,28,33)
InChIKeyOHNQQZUMMVUFMZ-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.83
Rot. Bonds9

About 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide

2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide (PubChem CID 91821929) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
PubChem CID91821929
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
SMILESCC(C)n1c(CCNC(=O)CC2NC(=O)N(CCc3ccccc3)C2=O)nc2ccccc21
InChIInChI=1S/C25H29N5O3/c1-17(2)30-21-11-7-6-10-19(21)27-22(30)12-14-26-23(31)16-20-24(32)29(25(33)28-20)15-13-18-8-4-3-5-9-18/h3-11,17,20H,12-16H2,1-2H3,(H,26,31)(H,28,33)
InChIKeyOHNQQZUMMVUFMZ-UHFFFAOYSA-N
XLogP2.83
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.83
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-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 124860887
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 75490035
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
CID 71826617
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 91821386
2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 135639814
N-(1H-benzimidazol-2-ylmethyl)-2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide
CID 71828246
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942258
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 91637918
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
CID 91821682
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73258555
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 71829380
(3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide
CID 95773068

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide (CID 91821929) is 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide is CC(C)n1c(CCNC(=O)CC2NC(=O)N(CCc3ccccc3)C2=O)nc2ccccc21.
What is the InChIKey of 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide?
The InChIKey is OHNQQZUMMVUFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-17(2)30-21-11-7-6-10-19(21)27-22(30)12-14-26-23(31)16-20-24(32)29(25(33)28-20)15-13-18-8-4-3-5-9-18/h3-11,17,20H,12-16H2,1-2H3,(H,26,31)(H,28,33).
What are the key properties of 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide?
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide has a molecular weight of 447.54 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 91821929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).