(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylic acid

C29H24N2O2 — CID 11669973

IUPAC(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylic acid
SMILESO=C(O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C29H24N2O2/c32-28(33)29(25-19-11-4-12-20-25)26(23-15-7-2-8-16-23)31(21-22-13-5-1-6-14-22)27(30-29)24-17-9-3-10-18-24/h1-20,26H,21H2,(H,32,33)/t26-,29-/m1/s1
InChIKeySHAVOCVWHNDNMP-GGXMVOPNSA-N
MW432.52 g/mol
LogP5.67
Rot. Bonds6

About (4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylic acid

(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylic acid (PubChem CID 11669973) has the molecular formula C29H24N2O2 and a molecular weight of 432.52 g/mol. Its IUPAC name is (4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylic acid
PubChem CID11669973
Molecular FormulaC29H24N2O2
Molecular Weight432.52 g/mol
Exact Mass432.18
IUPAC Name(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylic acid
SMILESO=C(O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C29H24N2O2/c32-28(33)29(25-19-11-4-12-20-25)26(23-15-7-2-8-16-23)31(21-22-13-5-1-6-14-22)27(30-29)24-17-9-3-10-18-24/h1-20,26H,21H2,(H,32,33)/t26-,29-/m1/s1
InChIKeySHAVOCVWHNDNMP-GGXMVOPNSA-N
XLogP5.67
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.67
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-imidazole-5-carboxylic acid?
The IUPAC name of (4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylic acid (CID 11669973) is (4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylic acid.
What is the SMILES notation for (4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylic acid?
The canonical SMILES for (4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylic acid is O=C(O)[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-imidazole-5-carboxylic acid?
The InChIKey is SHAVOCVWHNDNMP-GGXMVOPNSA-N. The full InChI is InChI=1S/C29H24N2O2/c32-28(33)29(25-19-11-4-12-20-25)26(23-15-7-2-8-16-23)31(21-22-13-5-1-6-14-22)27(30-29)24-17-9-3-10-18-24/h1-20,26H,21H2,(H,32,33)/t26-,29-/m1/s1.
What are the key properties of (4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylic acid?
(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylic acid has a molecular weight of 432.52 g/mol, XLogP of 5.67, 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-imidazole-5-carboxylic acid is sourced from PubChem (CID 11669973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).