(4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid

C25H24N2O2 — CID 68995751

IUPAC(4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid
SMILESC[C@]1(C(=O)O)N=C(Cc2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C25H24N2O2/c1-25(24(28)29)23(21-15-9-4-10-16-21)27(18-20-13-7-3-8-14-20)22(26-25)17-19-11-5-2-6-12-19/h2-16,23H,17-18H2,1H3,(H,28,29)/t23-,25+/m1/s1
InChIKeyVZMQXGYNKYKQEK-NOZRDPDXSA-N
MW384.48 g/mol
LogP4.73
Rot. Bonds6

About (4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid

(4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid (PubChem CID 68995751) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name(4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid
PubChem CID68995751
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid
SMILESC[C@]1(C(=O)O)N=C(Cc2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C25H24N2O2/c1-25(24(28)29)23(21-15-9-4-10-16-21)27(18-20-13-7-3-8-14-20)22(26-25)17-19-11-5-2-6-12-19/h2-16,23H,17-18H2,1H3,(H,28,29)/t23-,25+/m1/s1
InChIKeyVZMQXGYNKYKQEK-NOZRDPDXSA-N
XLogP4.73
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid?
The IUPAC name of (4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid (CID 68995751) is (4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid.
What is the SMILES notation for (4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid?
The canonical SMILES for (4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid is C[C@]1(C(=O)O)N=C(Cc2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid?
The InChIKey is VZMQXGYNKYKQEK-NOZRDPDXSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-25(24(28)29)23(21-15-9-4-10-16-21)27(18-20-13-7-3-8-14-20)22(26-25)17-19-11-5-2-6-12-19/h2-16,23H,17-18H2,1H3,(H,28,29)/t23-,25+/m1/s1.
What are the key properties of (4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid?
(4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid has a molecular weight of 384.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid is sourced from PubChem (CID 68995751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).