(4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid

C28H23N3O2 — CID 101253376

IUPAC(4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid
SMILESO=C(O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccncc1
InChIInChI=1S/C28H23N3O2/c32-27(33)28(24-14-8-3-9-15-24)25(22-16-18-29-19-17-22)31(20-21-10-4-1-5-11-21)26(30-28)23-12-6-2-7-13-23/h1-19,25H,20H2,(H,32,33)/t25-,28-/m1/s1
InChIKeyDVBHKFXHPYZHTA-LEAFIULHSA-N
MW433.51 g/mol
LogP5.07
Rot. Bonds6

About (4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid

(4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid (PubChem CID 101253376) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is (4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name(4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid
PubChem CID101253376
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC Name(4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid
SMILESO=C(O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccncc1
InChIInChI=1S/C28H23N3O2/c32-27(33)28(24-14-8-3-9-15-24)25(22-16-18-29-19-17-22)31(20-21-10-4-1-5-11-21)26(30-28)23-12-6-2-7-13-23/h1-19,25H,20H2,(H,32,33)/t25-,28-/m1/s1
InChIKeyDVBHKFXHPYZHTA-LEAFIULHSA-N
XLogP5.07
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid?
The IUPAC name of (4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid (CID 101253376) is (4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid.
What is the SMILES notation for (4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid?
The canonical SMILES for (4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid is O=C(O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccncc1.
What is the InChIKey of (4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid?
The InChIKey is DVBHKFXHPYZHTA-LEAFIULHSA-N. The full InChI is InChI=1S/C28H23N3O2/c32-27(33)28(24-14-8-3-9-15-24)25(22-16-18-29-19-17-22)31(20-21-10-4-1-5-11-21)26(30-28)23-12-6-2-7-13-23/h1-19,25H,20H2,(H,32,33)/t25-,28-/m1/s1.
What are the key properties of (4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid?
(4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid has a molecular weight of 433.51 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid is sourced from PubChem (CID 101253376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).