(5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione

C21H22N4O3 — CID 99707844

IUPAC(5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione
SMILESCn1cc([C@@]2(C)NC(=O)N(CCCOc3ccc4ccccc4c3)C2=O)cn1
InChIInChI=1S/C21H22N4O3/c1-21(17-13-22-24(2)14-17)19(26)25(20(27)23-21)10-5-11-28-18-9-8-15-6-3-4-7-16(15)12-18/h3-4,6-9,12-14H,5,10-11H2,1-2H3,(H,23,27)/t21-/m1/s1
InChIKeyTUJNDMRIUZPCHS-OAQYLSRUSA-N
MW378.43 g/mol
LogP2.81
Rot. Bonds6

About (5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione

(5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione (PubChem CID 99707844) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione
PubChem CID99707844
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name(5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione
SMILESCn1cc([C@@]2(C)NC(=O)N(CCCOc3ccc4ccccc4c3)C2=O)cn1
InChIInChI=1S/C21H22N4O3/c1-21(17-13-22-24(2)14-17)19(26)25(20(27)23-21)10-5-11-28-18-9-8-15-6-3-4-7-16(15)12-18/h3-4,6-9,12-14H,5,10-11H2,1-2H3,(H,23,27)/t21-/m1/s1
InChIKeyTUJNDMRIUZPCHS-OAQYLSRUSA-N
XLogP2.81
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 154737485
5-methyl-5-naphthalen-2-yl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 24674252
5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione
CID 71914522
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione
CID 60602072
(5R)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 97243668
(5R)-3-[3-(4-methoxyphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 38853269
5-methyl-5-(4-nitrophenyl)-3-(3-phenoxypropyl)imidazolidine-2,4-dione
CID 17395982
5-(4-tert-butylphenyl)-5-methyl-3-[3-(3-methylphenoxy)propyl]imidazolidine-2,4-dione
CID 18267863
(5S)-5-methyl-3-[2-(3-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 2579943
(5R)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171073
N-[2-(4-chlorophenoxy)ethyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 55372996
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione (CID 99707844) is (5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione is Cn1cc([C@@]2(C)NC(=O)N(CCCOc3ccc4ccccc4c3)C2=O)cn1.
What is the InChIKey of (5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione?
The InChIKey is TUJNDMRIUZPCHS-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-21(17-13-22-24(2)14-17)19(26)25(20(27)23-21)10-5-11-28-18-9-8-15-6-3-4-7-16(15)12-18/h3-4,6-9,12-14H,5,10-11H2,1-2H3,(H,23,27)/t21-/m1/s1.
What are the key properties of (5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione?
(5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione has a molecular weight of 378.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 99707844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).