3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide

C18H21N5O3 — CID 91641278

IUPAC3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)n1
InChIInChI=1S/C18H21N5O3/c1-22-11-10-15(21-22)20-16(24)8-7-14-17(25)23(18(26)19-14)12-9-13-5-3-2-4-6-13/h2-6,10-11,14H,7-9,12H2,1H3,(H,19,26)(H,20,21,24)/t14-/m0/s1
InChIKeySRAZLYXOTZKYTN-AWEZNQCLSA-N
MW355.40 g/mol
LogP1.30
Rot. Bonds7

About 3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide

3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 91641278) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID91641278
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)n1
InChIInChI=1S/C18H21N5O3/c1-22-11-10-15(21-22)20-16(24)8-7-14-17(25)23(18(26)19-14)12-9-13-5-3-2-4-6-13/h2-6,10-11,14H,7-9,12H2,1H3,(H,19,26)(H,20,21,24)/t14-/m0/s1
InChIKeySRAZLYXOTZKYTN-AWEZNQCLSA-N
XLogP1.30
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide (CID 91641278) is 3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide is Cn1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)n1.
What is the InChIKey of 3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is SRAZLYXOTZKYTN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-22-11-10-15(21-22)20-16(24)8-7-14-17(25)23(18(26)19-14)12-9-13-5-3-2-4-6-13/h2-6,10-11,14H,7-9,12H2,1H3,(H,19,26)(H,20,21,24)/t14-/m0/s1.
What are the key properties of 3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide?
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 355.40 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 91641278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).