1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

C28H29N5O2 — CID 22466816

IUPAC1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCC1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccccc1CN
InChIInChI=1S/C28H29N5O2/c1-28(25-13-6-11-21-8-4-5-12-24(21)25)26(34)32(16-7-15-31-17-14-30-20-31)27(35)33(28)19-23-10-3-2-9-22(23)18-29/h2-6,8-14,17,20H,7,15-16,18-19,29H2,1H3
InChIKeyVFBZCEPZWIPTDI-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.26
Rot. Bonds8

About 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 22466816) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID22466816
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCC1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccccc1CN
InChIInChI=1S/C28H29N5O2/c1-28(25-13-6-11-21-8-4-5-12-24(21)25)26(34)32(16-7-15-31-17-14-30-20-31)27(35)33(28)19-23-10-3-2-9-22(23)18-29/h2-6,8-14,17,20H,7,15-16,18-19,29H2,1H3
InChIKeyVFBZCEPZWIPTDI-UHFFFAOYSA-N
XLogP4.26
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.26
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

methyl 4-[[3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-yl-2,4-dioxoimidazolidin-1-yl]methyl]benzoate
CID 18738713
4-[4-[[3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-yl-2,4-dioxoimidazolidin-1-yl]methyl]benzoyl]piperazine-1-carboxylic acid
CID 22466846
3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 22466842
[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]methanamine
CID 112608034
6-amino-2-(4-imidazol-1-ylbutyl)benzo[de]isoquinoline-1,3-dione
CID 14281449
ethyl 2-[5-methyl-5-naphthalen-1-yl-2,4-dioxo-3-[3-(3-tritylimidazol-4-yl)propyl]imidazolidin-1-yl]acetate
CID 142630014
1-[2-(2-naphthalen-1-yl-1,3-dioxolan-2-yl)ethyl]imidazole
CID 20567228
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51162140
1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide
CID 141201366
3-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-naphthalen-1-ylpyrrole-2,5-dione
CID 155534982
4-[[5-[(3-ethyl-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 22466819
2-(3-imidazol-1-ylpropyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile
CID 110448738

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 22466816) is 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is CC1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccccc1CN.
What is the InChIKey of 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is VFBZCEPZWIPTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-28(25-13-6-11-21-8-4-5-12-24(21)25)26(34)32(16-7-15-31-17-14-30-20-31)27(35)33(28)19-23-10-3-2-9-22(23)18-29/h2-6,8-14,17,20H,7,15-16,18-19,29H2,1H3.
What are the key properties of 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 467.57 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 22466816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).