(5R)-3-[(3R)-2-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-phenylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione

C30H28BrFN4O4 — CID 143823514

IUPAC(5R)-3-[(3R)-2-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-phenylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione
SMILESC[C@@H](c1ccccc1)C(CN1C(=O)N[C@H](c2ccc(OCCO)cc2)C1=O)c1ncc(-c2ccc(Br)cc2F)[nH]1
InChIInChI=1S/C30H28BrFN4O4/c1-18(19-5-3-2-4-6-19)24(28-33-16-26(34-28)23-12-9-21(31)15-25(23)32)17-36-29(38)27(35-30(36)39)20-7-10-22(11-8-20)40-14-13-37/h2-12,15-16,18,24,27,37H,13-14,17H2,1H3,(H,33,34)(H,35,39)/t18-,24?,27+/m0/s1
InChIKeyPHIUXFQEHPPOKV-LTJGBUBTSA-N
MW607.48 g/mol
LogP5.53
Rot. Bonds10

About (5R)-3-[(3R)-2-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-phenylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione

(5R)-3-[(3R)-2-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-phenylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 143823514) has the molecular formula C30H28BrFN4O4 and a molecular weight of 607.48 g/mol. Its IUPAC name is (5R)-3-[(3R)-2-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-phenylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(3R)-2-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-phenylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione
PubChem CID143823514
Molecular FormulaC30H28BrFN4O4
Molecular Weight607.48 g/mol
Exact Mass606.13
IUPAC Name(5R)-3-[(3R)-2-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-phenylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione
SMILESC[C@@H](c1ccccc1)C(CN1C(=O)N[C@H](c2ccc(OCCO)cc2)C1=O)c1ncc(-c2ccc(Br)cc2F)[nH]1
InChIInChI=1S/C30H28BrFN4O4/c1-18(19-5-3-2-4-6-19)24(28-33-16-26(34-28)23-12-9-21(31)15-25(23)32)17-36-29(38)27(35-30(36)39)20-7-10-22(11-8-20)40-14-13-37/h2-12,15-16,18,24,27,37H,13-14,17H2,1H3,(H,33,34)(H,35,39)/t18-,24?,27+/m0/s1
InChIKeyPHIUXFQEHPPOKV-LTJGBUBTSA-N
XLogP5.53
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.48
LogP ≤ 55.53
H-Bond Donors ≤ 53
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 (5R)-3-[(3R)-2-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-phenylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(3R)-2-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-phenylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione (CID 143823514) is (5R)-3-[(3R)-2-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-phenylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(3R)-2-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-phenylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(3R)-2-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-phenylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione is C[C@@H](c1ccccc1)C(CN1C(=O)N[C@H](c2ccc(OCCO)cc2)C1=O)c1ncc(-c2ccc(Br)cc2F)[nH]1.
What is the InChIKey of (5R)-3-[(3R)-2-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-phenylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is PHIUXFQEHPPOKV-LTJGBUBTSA-N. The full InChI is InChI=1S/C30H28BrFN4O4/c1-18(19-5-3-2-4-6-19)24(28-33-16-26(34-28)23-12-9-21(31)15-25(23)32)17-36-29(38)27(35-30(36)39)20-7-10-22(11-8-20)40-14-13-37/h2-12,15-16,18,24,27,37H,13-14,17H2,1H3,(H,33,34)(H,35,39)/t18-,24?,27+/m0/s1.
What are the key properties of (5R)-3-[(3R)-2-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-phenylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione?
(5R)-3-[(3R)-2-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-phenylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 607.48 g/mol, XLogP of 5.53, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(3R)-2-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-phenylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143823514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).