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

C27H25BrN4O2 — CID 22466875

IUPAC1-[(4-bromophenyl)methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCC1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C27H25BrN4O2/c1-27(24-9-4-7-21-6-2-3-8-23(21)24)25(33)31(16-5-15-30-17-14-29-19-30)26(34)32(27)18-20-10-12-22(28)13-11-20/h2-4,6-14,17,19H,5,15-16,18H2,1H3
InChIKeyIOTNSECWYWCDGM-UHFFFAOYSA-N
MW517.43 g/mol
LogP5.57
Rot. Bonds7

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

1-[(4-bromophenyl)methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 22466875) has the molecular formula C27H25BrN4O2 and a molecular weight of 517.43 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID22466875
Molecular FormulaC27H25BrN4O2
Molecular Weight517.43 g/mol
Exact Mass516.12
IUPAC Name1-[(4-bromophenyl)methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCC1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C27H25BrN4O2/c1-27(24-9-4-7-21-6-2-3-8-23(21)24)25(33)31(16-5-15-30-17-14-29-19-30)26(34)32(27)18-20-10-12-22(28)13-11-20/h2-4,6-14,17,19H,5,15-16,18H2,1H3
InChIKeyIOTNSECWYWCDGM-UHFFFAOYSA-N
XLogP5.57
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.43
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-bromophenyl)methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 22466875) is 1-[(4-bromophenyl)methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(4-bromophenyl)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(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is IOTNSECWYWCDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25BrN4O2/c1-27(24-9-4-7-21-6-2-3-8-23(21)24)25(33)31(16-5-15-30-17-14-29-19-30)26(34)32(27)18-20-10-12-22(28)13-11-20/h2-4,6-14,17,19H,5,15-16,18H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
1-[(4-bromophenyl)methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 517.43 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 22466875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).