(5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione

C24H26N4O3 — CID 30961017

IUPAC(5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2ccco2)NC(=O)N(CN2CCN(Cc3cccc4ccccc34)CC2)C1=O
InChIInChI=1S/C24H26N4O3/c1-24(21-10-5-15-31-21)22(29)28(23(30)25-24)17-27-13-11-26(12-14-27)16-19-8-4-7-18-6-2-3-9-20(18)19/h2-10,15H,11-14,16-17H2,1H3,(H,25,30)/t24-/m1/s1
InChIKeyCQAIDGJRYNPICB-XMMPIXPASA-N
MW418.50 g/mol
LogP2.98
Rot. Bonds5

About (5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione

(5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 30961017) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
PubChem CID30961017
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name(5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2ccco2)NC(=O)N(CN2CCN(Cc3cccc4ccccc34)CC2)C1=O
InChIInChI=1S/C24H26N4O3/c1-24(21-10-5-15-31-21)22(29)28(23(30)25-24)17-27-13-11-26(12-14-27)16-19-8-4-7-18-6-2-3-9-20(18)19/h2-10,15H,11-14,16-17H2,1H3,(H,25,30)/t24-/m1/s1
InChIKeyCQAIDGJRYNPICB-XMMPIXPASA-N
XLogP2.98
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30629728
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 22109253
5-(3-methoxyphenyl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 45352806
(5R)-3-benzyl-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51462112
(5R)-5-methyl-5-naphthalen-1-yl-3-(pyrrolidin-1-ylmethyl)imidazolidine-2,4-dione
CID 9403666
2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 17395489
5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
CID 75884137
5-(furan-2-yl)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 47013283
(5S)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-(1-benzofuran-2-yl)-5-methylimidazolidine-2,4-dione
CID 30735078
(5R)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-(1-benzofuran-2-yl)-5-methylimidazolidine-2,4-dione
CID 30735083
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 46642091

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione (CID 30961017) is (5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione is C[C@]1(c2ccco2)NC(=O)N(CN2CCN(Cc3cccc4ccccc34)CC2)C1=O.
What is the InChIKey of (5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is CQAIDGJRYNPICB-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26N4O3/c1-24(21-10-5-15-31-21)22(29)28(23(30)25-24)17-27-13-11-26(12-14-27)16-19-8-4-7-18-6-2-3-9-20(18)19/h2-10,15H,11-14,16-17H2,1H3,(H,25,30)/t24-/m1/s1.
What are the key properties of (5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
(5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 418.50 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(furan-2-yl)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 30961017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).