(5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione

C19H21N3O2 — CID 97251601

IUPAC(5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCC(C)c1cccc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)n1
InChIInChI=1S/C19H21N3O2/c1-13(2)16-10-6-9-15(20-16)12-22-18(23)17(21-19(22)24)11-14-7-4-3-5-8-14/h3-10,13,17H,11-12H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyPFSPQEBTECREMA-QGZVFWFLSA-N
MW323.40 g/mol
LogP2.87
Rot. Bonds5

About (5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione

(5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione (PubChem CID 97251601) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
PubChem CID97251601
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCC(C)c1cccc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)n1
InChIInChI=1S/C19H21N3O2/c1-13(2)16-10-6-9-15(20-16)12-22-18(23)17(21-19(22)24)11-14-7-4-3-5-8-14/h3-10,13,17H,11-12H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyPFSPQEBTECREMA-QGZVFWFLSA-N
XLogP2.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(2-methylpropyl)-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
CID 100667547
5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 110186788
(5S)-5-[[1-(2-methoxyethyl)triazol-4-yl]methyl]-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
CID 129327963
3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 16660602
(5S)-5-benzyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
CID 51531205
(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione
CID 11196501
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 29170365
3-[(6-amino-2-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione
CID 79230999
methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 4601141
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 29170373
N-benzyl-2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-propan-2-ylacetamide
CID 3549175
(5R)-5-benzyl-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 11674231

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione (CID 97251601) is (5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione is CC(C)c1cccc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)n1.
What is the InChIKey of (5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione?
The InChIKey is PFSPQEBTECREMA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(2)16-10-6-9-15(20-16)12-22-18(23)17(21-19(22)24)11-14-7-4-3-5-8-14/h3-10,13,17H,11-12H2,1-2H3,(H,21,24)/t17-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione?
(5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione has a molecular weight of 323.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97251601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).