(4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

C40H38N4 — CID 11967745

IUPAC(4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCC(C)(C)c1cc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2)c1
InChIInChI=1S/C40H38N4/c1-40(2,3)33-25-31(38-41-34(27-16-8-4-9-17-27)35(42-38)28-18-10-5-11-19-28)24-32(26-33)39-43-36(29-20-12-6-13-21-29)37(44-39)30-22-14-7-15-23-30/h4-26,34-37H,1-3H3,(H,41,42)(H,43,44)/t34-,35-,36-,37-/m1/s1
InChIKeyACDCYNAVWMRILC-LPYGTTGFSA-N
MW574.77 g/mol
LogP8.65
Rot. Bonds6

About (4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 11967745) has the molecular formula C40H38N4 and a molecular weight of 574.77 g/mol. Its IUPAC name is (4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID11967745
Molecular FormulaC40H38N4
Molecular Weight574.77 g/mol
Exact Mass574.31
IUPAC Name(4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCC(C)(C)c1cc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2)c1
InChIInChI=1S/C40H38N4/c1-40(2,3)33-25-31(38-41-34(27-16-8-4-9-17-27)35(42-38)28-18-10-5-11-19-28)24-32(26-33)39-43-36(29-20-12-6-13-21-29)37(44-39)30-22-14-7-15-23-30/h4-26,34-37H,1-3H3,(H,41,42)(H,43,44)/t34-,35-,36-,37-/m1/s1
InChIKeyACDCYNAVWMRILC-LPYGTTGFSA-N
XLogP8.65
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 58.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 11967745) is (4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is CC(C)(C)c1cc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2)c1.
What is the InChIKey of (4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is ACDCYNAVWMRILC-LPYGTTGFSA-N. The full InChI is InChI=1S/C40H38N4/c1-40(2,3)33-25-31(38-41-34(27-16-8-4-9-17-27)35(42-38)28-18-10-5-11-19-28)24-32(26-33)39-43-36(29-20-12-6-13-21-29)37(44-39)30-22-14-7-15-23-30/h4-26,34-37H,1-3H3,(H,41,42)(H,43,44)/t34-,35-,36-,37-/m1/s1.
What are the key properties of (4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 574.77 g/mol, XLogP of 8.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11967745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).