3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide

C26H29N5O3 — CID 124854337

IUPAC3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
SMILESCC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H](c3ccccc3)c3nccn3C)C2=O)cc1
InChIInChI=1S/C26H29N5O3/c1-17(2)18-9-11-20(12-10-18)31-25(33)21(28-26(31)34)13-14-22(32)29-23(19-7-5-4-6-8-19)24-27-15-16-30(24)3/h4-12,15-17,21,23H,13-14H2,1-3H3,(H,28,34)(H,29,32)/t21-,23-/m1/s1
InChIKeyXAYANRUIKXOJOL-FYYLOGMGSA-N
MW459.55 g/mol
LogP3.65
Rot. Bonds8

About 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide

3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide (PubChem CID 124854337) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
PubChem CID124854337
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
SMILESCC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H](c3ccccc3)c3nccn3C)C2=O)cc1
InChIInChI=1S/C26H29N5O3/c1-17(2)18-9-11-20(12-10-18)31-25(33)21(28-26(31)34)13-14-22(32)29-23(19-7-5-4-6-8-19)24-27-15-16-30(24)3/h4-12,15-17,21,23H,13-14H2,1-3H3,(H,28,34)(H,29,32)/t21-,23-/m1/s1
InChIKeyXAYANRUIKXOJOL-FYYLOGMGSA-N
XLogP3.65
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.65
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-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 102564386
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
methyl 2-[3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]propanoylamino]acetate
CID 126418668
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate
CID 46533040
3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 126418778
4-[[(4-acetamidophenyl)-(1-methylimidazol-2-yl)methyl]amino]-4-oxobutanoic acid
CID 110429545
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
4-(4-bromophenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 31357215
4-(azepan-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 90652611
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylpropanamide
CID 52521676

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
The IUPAC name of 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide (CID 124854337) is 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide.
What is the SMILES notation for 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
The canonical SMILES for 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide is CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H](c3ccccc3)c3nccn3C)C2=O)cc1.
What is the InChIKey of 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
The InChIKey is XAYANRUIKXOJOL-FYYLOGMGSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-17(2)18-9-11-20(12-10-18)31-25(33)21(28-26(31)34)13-14-22(32)29-23(19-7-5-4-6-8-19)24-27-15-16-30(24)3/h4-12,15-17,21,23H,13-14H2,1-3H3,(H,28,34)(H,29,32)/t21-,23-/m1/s1.
What are the key properties of 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide has a molecular weight of 459.55 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide is sourced from PubChem (CID 124854337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).