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

C28H29N5O2 — CID 22466839

IUPAC1-[[4-(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)N1Cc1ccc(CN)cc1
InChIInChI=1S/C28H29N5O2/c1-28(25-9-4-7-23-6-2-3-8-24(23)25)26(34)32(16-5-15-31-17-14-30-20-31)27(35)33(28)19-22-12-10-21(18-29)11-13-22/h2-4,6-14,17,20H,5,15-16,18-19,29H2,1H3
InChIKeyCWDMNHRPPUTQRX-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.26
Rot. Bonds8

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

1-[[4-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 22466839) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID22466839
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name1-[[4-(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)N1Cc1ccc(CN)cc1
InChIInChI=1S/C28H29N5O2/c1-28(25-9-4-7-23-6-2-3-8-24(23)25)26(34)32(16-5-15-31-17-14-30-20-31)27(35)33(28)19-22-12-10-21(18-29)11-13-22/h2-4,6-14,17,20H,5,15-16,18-19,29H2,1H3
InChIKeyCWDMNHRPPUTQRX-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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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 22466839) is 1-[[4-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[[4-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for 1-[[4-(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)N1Cc1ccc(CN)cc1.
What is the InChIKey of 1-[[4-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is CWDMNHRPPUTQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-28(25-9-4-7-23-6-2-3-8-24(23)25)26(34)32(16-5-15-31-17-14-30-20-31)27(35)33(28)19-22-12-10-21(18-29)11-13-22/h2-4,6-14,17,20H,5,15-16,18-19,29H2,1H3.
What are the key properties of 1-[[4-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
1-[[4-(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-[[4-(aminomethyl)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 22466839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).