[(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazol-5-yl]methanol

C29H26N2O — CID 25231642

IUPAC[(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazol-5-yl]methanol
SMILESOC[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C29H26N2O/c32-22-29(26-19-11-4-12-20-26)27(24-15-7-2-8-16-24)31(21-23-13-5-1-6-14-23)28(30-29)25-17-9-3-10-18-25/h1-20,27,32H,21-22H2/t27-,29-/m1/s1
InChIKeyRIAAYAPATINFFJ-XRKRLSELSA-N
MW418.54 g/mol
LogP5.58
Rot. Bonds6

About [(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazol-5-yl]methanol

[(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazol-5-yl]methanol (PubChem CID 25231642) has the molecular formula C29H26N2O and a molecular weight of 418.54 g/mol. Its IUPAC name is [(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazol-5-yl]methanol
PubChem CID25231642
Molecular FormulaC29H26N2O
Molecular Weight418.54 g/mol
Exact Mass418.20
IUPAC Name[(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazol-5-yl]methanol
SMILESOC[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C29H26N2O/c32-22-29(26-19-11-4-12-20-26)27(24-15-7-2-8-16-24)31(21-23-13-5-1-6-14-23)28(30-29)25-17-9-3-10-18-25/h1-20,27,32H,21-22H2/t27-,29-/m1/s1
InChIKeyRIAAYAPATINFFJ-XRKRLSELSA-N
XLogP5.58
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazol-5-yl]methanol?
The IUPAC name of [(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazol-5-yl]methanol (CID 25231642) is [(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazol-5-yl]methanol.
What is the SMILES notation for [(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazol-5-yl]methanol?
The canonical SMILES for [(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazol-5-yl]methanol is OC[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of [(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazol-5-yl]methanol?
The InChIKey is RIAAYAPATINFFJ-XRKRLSELSA-N. The full InChI is InChI=1S/C29H26N2O/c32-22-29(26-19-11-4-12-20-26)27(24-15-7-2-8-16-24)31(21-23-13-5-1-6-14-23)28(30-29)25-17-9-3-10-18-25/h1-20,27,32H,21-22H2/t27-,29-/m1/s1.
What are the key properties of [(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazol-5-yl]methanol?
[(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazol-5-yl]methanol has a molecular weight of 418.54 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazol-5-yl]methanol is sourced from PubChem (CID 25231642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).