(4R,5S)-2-(2,2-diphenylethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole

C29H26N2 — CID 11272308

IUPAC(4R,5S)-2-(2,2-diphenylethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESc1ccc(C(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c2ccccc2)cc1
InChIInChI=1S/C29H26N2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27-30-28(24-17-9-3-10-18-24)29(31-27)25-19-11-4-12-20-25/h1-20,26,28-29H,21H2,(H,30,31)/t28-,29+
InChIKeyXHAIXIPFFWBCDE-ISILISOKSA-N
MW402.54 g/mol
LogP6.69
Rot. Bonds6

About (4R,5S)-2-(2,2-diphenylethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4R,5S)-2-(2,2-diphenylethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 11272308) has the molecular formula C29H26N2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (4R,5S)-2-(2,2-diphenylethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2-(2,2-diphenylethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID11272308
Molecular FormulaC29H26N2
Molecular Weight402.54 g/mol
Exact Mass402.21
IUPAC Name(4R,5S)-2-(2,2-diphenylethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESc1ccc(C(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c2ccccc2)cc1
InChIInChI=1S/C29H26N2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27-30-28(24-17-9-3-10-18-24)29(31-27)25-19-11-4-12-20-25/h1-20,26,28-29H,21H2,(H,30,31)/t28-,29+
InChIKeyXHAIXIPFFWBCDE-ISILISOKSA-N
XLogP6.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-(2,2-diphenylethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2-(2,2-diphenylethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 11272308) is (4R,5S)-2-(2,2-diphenylethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2-(2,2-diphenylethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2-(2,2-diphenylethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole is c1ccc(C(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c2ccccc2)cc1.
What is the InChIKey of (4R,5S)-2-(2,2-diphenylethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is XHAIXIPFFWBCDE-ISILISOKSA-N. The full InChI is InChI=1S/C29H26N2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27-30-28(24-17-9-3-10-18-24)29(31-27)25-19-11-4-12-20-25/h1-20,26,28-29H,21H2,(H,30,31)/t28-,29+.
What are the key properties of (4R,5S)-2-(2,2-diphenylethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4R,5S)-2-(2,2-diphenylethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 402.54 g/mol, XLogP of 6.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-(2,2-diphenylethyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11272308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).