(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-propylimidazol-4-one

C20H19BrCl2N2O — CID 59923758

IUPAC(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-propylimidazol-4-one
SMILESCCCC1=N[C@](C)(Cc2ccc(Br)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H19BrCl2N2O/c1-3-4-18-24-20(2,12-13-5-7-14(21)8-6-13)19(26)25(18)17-10-15(22)9-16(23)11-17/h5-11H,3-4,12H2,1-2H3/t20-/m1/s1
InChIKeyNLGFZANHWDVKQB-HXUWFJFHSA-N
MW454.20 g/mol
LogP6.30
Rot. Bonds5

About (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-propylimidazol-4-one

(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-propylimidazol-4-one (PubChem CID 59923758) has the molecular formula C20H19BrCl2N2O and a molecular weight of 454.20 g/mol. Its IUPAC name is (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-propylimidazol-4-one.

Molecular Properties

Compound Name(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-propylimidazol-4-one
PubChem CID59923758
Molecular FormulaC20H19BrCl2N2O
Molecular Weight454.20 g/mol
Exact Mass452.01
IUPAC Name(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-propylimidazol-4-one
SMILESCCCC1=N[C@](C)(Cc2ccc(Br)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H19BrCl2N2O/c1-3-4-18-24-20(2,12-13-5-7-14(21)8-6-13)19(26)25(18)17-10-15(22)9-16(23)11-17/h5-11H,3-4,12H2,1-2H3/t20-/m1/s1
InChIKeyNLGFZANHWDVKQB-HXUWFJFHSA-N
XLogP6.30
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.20
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-propylimidazol-4-one?
The IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-propylimidazol-4-one (CID 59923758) is (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-propylimidazol-4-one.
What is the SMILES notation for (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-propylimidazol-4-one?
The canonical SMILES for (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-propylimidazol-4-one is CCCC1=N[C@](C)(Cc2ccc(Br)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-propylimidazol-4-one?
The InChIKey is NLGFZANHWDVKQB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19BrCl2N2O/c1-3-4-18-24-20(2,12-13-5-7-14(21)8-6-13)19(26)25(18)17-10-15(22)9-16(23)11-17/h5-11H,3-4,12H2,1-2H3/t20-/m1/s1.
What are the key properties of (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-propylimidazol-4-one?
(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-propylimidazol-4-one has a molecular weight of 454.20 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-propylimidazol-4-one is sourced from PubChem (CID 59923758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).