(5R)-3-[1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione

C26H29BrN4O4 — CID 143823625

About (5R)-3-[1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione

(5R)-3-[1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 143823625) has the molecular formula C26H29BrN4O4 and a molecular weight of 541.45 g/mol. Its IUPAC name is (5R)-3-[1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-3-[1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione
• PubChem CID: 143823625
• Molecular Formula: C26H29BrN4O4
• Molecular Weight: 541.45 g/mol
• Exact Mass: 540.14
• IUPAC Name: (5R)-3-[1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione
• SMILES: Cc1[nH]c(C(CC(C)C)N2C(=O)N[C@H](c3ccc(OCCO)cc3)C2=O)nc1-c1ccc(Br)cc1
• InChI: InChI=1S/C26H29BrN4O4/c1-15(2)14-21(24-28-16(3)22(29-24)17-4-8-19(27)9-5-17)31-25(33)23(30-26(31)34)18-6-10-20(11-7-18)35-13-12-32/h4-11,15,21,23,32H,12-14H2,1-3H3,(H,28,29)(H,30,34)/t21?,23-/m1/s1
• InChIKey: AGWMQYOAHTWQMT-JFGZAKSSSA-N
• XLogP: 4.90
• TPSA: 107.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.45
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-3-[1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione (CID 143823625) is (5R)-3-[1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-3-[1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-3-[1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione is Cc1[nH]c(C(CC(C)C)N2C(=O)N[C@H](c3ccc(OCCO)cc3)C2=O)nc1-c1ccc(Br)cc1.

What is the InChIKey of (5R)-3-[1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione?

The InChIKey is AGWMQYOAHTWQMT-JFGZAKSSSA-N. The full InChI is InChI=1S/C26H29BrN4O4/c1-15(2)14-21(24-28-16(3)22(29-24)17-4-8-19(27)9-5-17)31-25(33)23(30-26(31)34)18-6-10-20(11-7-18)35-13-12-32/h4-11,15,21,23,32H,12-14H2,1-3H3,(H,28,29)(H,30,34)/t21?,23-/m1/s1.

What are the key properties of (5R)-3-[1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione?

(5R)-3-[1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 541.45 g/mol, XLogP of 4.90, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143823625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).