2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide

C24H27N5O3 — CID 75490035

IUPAC2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
SMILESCC(C)n1c(CCNC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)nc2ccccc21
InChIInChI=1S/C24H27N5O3/c1-16(2)29-20-11-7-6-10-18(20)26-21(29)12-13-25-22(30)14-19-23(31)28(24(32)27-19)15-17-8-4-3-5-9-17/h3-11,16,19H,12-15H2,1-2H3,(H,25,30)(H,27,32)/t19-/m0/s1
InChIKeyDZVWXAMPLJRZIP-IBGZPJMESA-N
MW433.51 g/mol
LogP2.79
Rot. Bonds8

About 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide

2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide (PubChem CID 75490035) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
PubChem CID75490035
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
SMILESCC(C)n1c(CCNC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)nc2ccccc21
InChIInChI=1S/C24H27N5O3/c1-16(2)29-20-11-7-6-10-18(20)26-21(29)12-13-25-22(30)14-19-23(31)28(24(32)27-19)15-17-8-4-3-5-9-17/h3-11,16,19H,12-15H2,1-2H3,(H,25,30)(H,27,32)/t19-/m0/s1
InChIKeyDZVWXAMPLJRZIP-IBGZPJMESA-N
XLogP2.79
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.79
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-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 91821929
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 91821386
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 91637918
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
3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 75489076
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942258
3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
CID 75489558
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
CID 91821682
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 124906480
(3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide
CID 95773068
3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119888838

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide (CID 75490035) is 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide is CC(C)n1c(CCNC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)nc2ccccc21.
What is the InChIKey of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide?
The InChIKey is DZVWXAMPLJRZIP-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16(2)29-20-11-7-6-10-18(20)26-21(29)12-13-25-22(30)14-19-23(31)28(24(32)27-19)15-17-8-4-3-5-9-17/h3-11,16,19H,12-15H2,1-2H3,(H,25,30)(H,27,32)/t19-/m0/s1.
What are the key properties of 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide?
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide has a molecular weight of 433.51 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 75490035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).