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

C21H15Cl3N2 — CID 12980493

IUPAC(4R,5S)-2,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-imidazole
SMILESClc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2)cc1
InChIInChI=1S/C21H15Cl3N2/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+
InChIKeyLRLGPICGNUWXAN-BGYRXZFFSA-N
MW401.72 g/mol
LogP6.48
Rot. Bonds3

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

(4R,5S)-2,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-imidazole (PubChem CID 12980493) has the molecular formula C21H15Cl3N2 and a molecular weight of 401.72 g/mol. Its IUPAC name is (4R,5S)-2,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-imidazole
PubChem CID12980493
Molecular FormulaC21H15Cl3N2
Molecular Weight401.72 g/mol
Exact Mass400.03
IUPAC Name(4R,5S)-2,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-imidazole
SMILESClc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2)cc1
InChIInChI=1S/C21H15Cl3N2/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+
InChIKeyLRLGPICGNUWXAN-BGYRXZFFSA-N
XLogP6.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.72
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-imidazole (CID 12980493) is (4R,5S)-2,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-imidazole is Clc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2)cc1.
What is the InChIKey of (4R,5S)-2,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is LRLGPICGNUWXAN-BGYRXZFFSA-N. The full InChI is InChI=1S/C21H15Cl3N2/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-chlorophenyl)-4,5-dihydro-1H-imidazole?
(4R,5S)-2,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 401.72 g/mol, XLogP of 6.48, 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-chlorophenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 12980493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).