(4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole

C21H15Br3N2 — CID 12980494

IUPAC(4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole
SMILESBrc1ccc(C2=N[C@H](c3ccc(Br)cc3)[C@H](c3ccc(Br)cc3)N2)cc1
InChIInChI=1S/C21H15Br3N2/c22-16-7-1-13(2-8-16)19-20(14-3-9-17(23)10-4-14)26-21(25-19)15-5-11-18(24)12-6-15/h1-12,19-20H,(H,25,26)/t19-,20+
InChIKeyXINXUHGYBVVUAS-BGYRXZFFSA-N
MW535.08 g/mol
LogP6.81
Rot. Bonds3

About (4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole

(4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole (PubChem CID 12980494) has the molecular formula C21H15Br3N2 and a molecular weight of 535.08 g/mol. Its IUPAC name is (4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole
PubChem CID12980494
Molecular FormulaC21H15Br3N2
Molecular Weight535.08 g/mol
Exact Mass531.88
IUPAC Name(4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole
SMILESBrc1ccc(C2=N[C@H](c3ccc(Br)cc3)[C@H](c3ccc(Br)cc3)N2)cc1
InChIInChI=1S/C21H15Br3N2/c22-16-7-1-13(2-8-16)19-20(14-3-9-17(23)10-4-14)26-21(25-19)15-5-11-18(24)12-6-15/h1-12,19-20H,(H,25,26)/t19-,20+
InChIKeyXINXUHGYBVVUAS-BGYRXZFFSA-N
XLogP6.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.08
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-Triphenyl-2-imidazoline
CID 101777
2-(3-bromophenyl)-4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 10273149
(4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole
CID 11294314
(4R,5S)-4,5-diphenyl-2-(3-phenylpropyl)-4,5-dihydro-1H-imidazole
CID 11442400
(4R,5S)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole
CID 44391901
(4S,5R)-2,4,5-triphenyl-2-imidazoline
CID 11808669
2-(4-bromophenyl)-4,5-dihydro-1H-imidazole
CID 3729659
(4R,5S)-2,4,5-triphenyl-4,5-dihydro-1H-imidazole
CID 2818099
1H-Imidazole, 4,5-dihydro-2,4,5-triphenyl-, (4R,5R)-
CID 10913549
(4R,5S)-2,4,5-tris(4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 127262295
2-(2'-Fluorophenyl)-(4s,5s)-diphenyl-4,5-dihydroimidazole
CID 20705056
(4r,5r)-2-(4-Fluorophenyl)-4,5-diphenyl-imidazoline
CID 132493820

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole (CID 12980494) is (4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole is Brc1ccc(C2=N[C@H](c3ccc(Br)cc3)[C@H](c3ccc(Br)cc3)N2)cc1.
What is the InChIKey of (4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is XINXUHGYBVVUAS-BGYRXZFFSA-N. The full InChI is InChI=1S/C21H15Br3N2/c22-16-7-1-13(2-8-16)19-20(14-3-9-17(23)10-4-14)26-21(25-19)15-5-11-18(24)12-6-15/h1-12,19-20H,(H,25,26)/t19-,20+.
What are the key properties of (4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole?
(4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 535.08 g/mol, XLogP of 6.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2,4,5-tris(4-bromophenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 12980494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).