5-[[3,5-diamino-4-(4-methoxyphenoxy)phenyl]methyl]-5-propylimidazolidine-2,4-dione

C20H24N4O4 — CID 54478750

IUPAC5-[[3,5-diamino-4-(4-methoxyphenoxy)phenyl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1(Cc2cc(N)c(Oc3ccc(OC)cc3)c(N)c2)NC(=O)NC1=O
InChIInChI=1S/C20H24N4O4/c1-3-8-20(18(25)23-19(26)24-20)11-12-9-15(21)17(16(22)10-12)28-14-6-4-13(27-2)5-7-14/h4-7,9-10H,3,8,11,21-22H2,1-2H3,(H2,23,24,25,26)
InChIKeyXNMLSBCPQONFTN-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.57
Rot. Bonds7

About 5-[[3,5-diamino-4-(4-methoxyphenoxy)phenyl]methyl]-5-propylimidazolidine-2,4-dione

5-[[3,5-diamino-4-(4-methoxyphenoxy)phenyl]methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 54478750) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-[[3,5-diamino-4-(4-methoxyphenoxy)phenyl]methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[3,5-diamino-4-(4-methoxyphenoxy)phenyl]methyl]-5-propylimidazolidine-2,4-dione
PubChem CID54478750
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name5-[[3,5-diamino-4-(4-methoxyphenoxy)phenyl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1(Cc2cc(N)c(Oc3ccc(OC)cc3)c(N)c2)NC(=O)NC1=O
InChIInChI=1S/C20H24N4O4/c1-3-8-20(18(25)23-19(26)24-20)11-12-9-15(21)17(16(22)10-12)28-14-6-4-13(27-2)5-7-14/h4-7,9-10H,3,8,11,21-22H2,1-2H3,(H2,23,24,25,26)
InChIKeyXNMLSBCPQONFTN-UHFFFAOYSA-N
XLogP2.57
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione
CID 54342646
5-[[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methyl]-5-methylimidazolidine-2,4-dione
CID 134990734
5-ethyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 75224389
ethyl 2-[4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]acetate
CID 91043741
5-[[4-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]methyl]-5-pentylimidazolidine-2,4-dione
CID 91395948
4-(4-methoxyphenoxy)-2-propoxyaniline
CID 63675755
2-(4-amino-6-methoxynaphthalen-2-yl)acetaldehyde
CID 87349314
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
5-(4-methoxy-3-methylphenyl)-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 3058198
5-octyl-5-pentylimidazolidine-2,4-dione
CID 21324142
3-methoxy-5-(4-propylphenoxy)aniline
CID 80749252
5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione
CID 82305717

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-diamino-4-(4-methoxyphenoxy)phenyl]methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 5-[[3,5-diamino-4-(4-methoxyphenoxy)phenyl]methyl]-5-propylimidazolidine-2,4-dione (CID 54478750) is 5-[[3,5-diamino-4-(4-methoxyphenoxy)phenyl]methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[[3,5-diamino-4-(4-methoxyphenoxy)phenyl]methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-[[3,5-diamino-4-(4-methoxyphenoxy)phenyl]methyl]-5-propylimidazolidine-2,4-dione is CCCC1(Cc2cc(N)c(Oc3ccc(OC)cc3)c(N)c2)NC(=O)NC1=O.
What is the InChIKey of 5-[[3,5-diamino-4-(4-methoxyphenoxy)phenyl]methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is XNMLSBCPQONFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-3-8-20(18(25)23-19(26)24-20)11-12-9-15(21)17(16(22)10-12)28-14-6-4-13(27-2)5-7-14/h4-7,9-10H,3,8,11,21-22H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 5-[[3,5-diamino-4-(4-methoxyphenoxy)phenyl]methyl]-5-propylimidazolidine-2,4-dione?
5-[[3,5-diamino-4-(4-methoxyphenoxy)phenyl]methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 384.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-diamino-4-(4-methoxyphenoxy)phenyl]methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 54478750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).