3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide

C20H25N5O3 — CID 126418778

IUPAC3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
SMILESCC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3cnc[nH]3)C2=O)cc1
InChIInChI=1S/C20H25N5O3/c1-13(2)14-3-5-16(6-4-14)25-19(27)17(24-20(25)28)7-8-18(26)22-10-9-15-11-21-12-23-15/h3-6,11-13,17H,7-10H2,1-2H3,(H,21,23)(H,22,26)(H,24,28)/t17-/m1/s1
InChIKeyZHVHICXMPYGDPD-QGZVFWFLSA-N
MW383.45 g/mol
LogP2.10
Rot. Bonds8

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

3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide (PubChem CID 126418778) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
PubChem CID126418778
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
SMILESCC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3cnc[nH]3)C2=O)cc1
InChIInChI=1S/C20H25N5O3/c1-13(2)14-3-5-16(6-4-14)25-19(27)17(24-20(25)28)7-8-18(26)22-10-9-15-11-21-12-23-15/h3-6,11-13,17H,7-10H2,1-2H3,(H,21,23)(H,22,26)(H,24,28)/t17-/m1/s1
InChIKeyZHVHICXMPYGDPD-QGZVFWFLSA-N
XLogP2.10
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide (CID 126418778) is 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide is CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3cnc[nH]3)C2=O)cc1.
What is the InChIKey of 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The InChIKey is ZHVHICXMPYGDPD-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13(2)14-3-5-16(6-4-14)25-19(27)17(24-20(25)28)7-8-18(26)22-10-9-15-11-21-12-23-15/h3-6,11-13,17H,7-10H2,1-2H3,(H,21,23)(H,22,26)(H,24,28)/t17-/m1/s1.
What are the key properties of 3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide has a molecular weight of 383.45 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 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-[2-(1H-imidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 126418778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).