(4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid

C23H19FN2O2 — CID 101253365

IUPAC(4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid
SMILESC[C@@]1(C(=O)O)N=C(c2ccccc2)N(c2ccc(F)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H19FN2O2/c1-23(22(27)28)20(16-8-4-2-5-9-16)26(19-14-12-18(24)13-15-19)21(25-23)17-10-6-3-7-11-17/h2-15,20H,1H3,(H,27,28)/t20-,23-/m1/s1
InChIKeyYOTMFLJOVPNJCF-NFBKMPQASA-N
MW374.42 g/mol
LogP4.68
Rot. Bonds4

About (4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid

(4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid (PubChem CID 101253365) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is (4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name(4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid
PubChem CID101253365
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name(4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid
SMILESC[C@@]1(C(=O)O)N=C(c2ccccc2)N(c2ccc(F)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H19FN2O2/c1-23(22(27)28)20(16-8-4-2-5-9-16)26(19-14-12-18(24)13-15-19)21(25-23)17-10-6-3-7-11-17/h2-15,20H,1H3,(H,27,28)/t20-,23-/m1/s1
InChIKeyYOTMFLJOVPNJCF-NFBKMPQASA-N
XLogP4.68
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid?
The IUPAC name of (4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid (CID 101253365) is (4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid.
What is the SMILES notation for (4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid?
The canonical SMILES for (4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid is C[C@@]1(C(=O)O)N=C(c2ccccc2)N(c2ccc(F)cc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid?
The InChIKey is YOTMFLJOVPNJCF-NFBKMPQASA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-23(22(27)28)20(16-8-4-2-5-9-16)26(19-14-12-18(24)13-15-19)21(25-23)17-10-6-3-7-11-17/h2-15,20H,1H3,(H,27,28)/t20-,23-/m1/s1.
What are the key properties of (4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid?
(4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid has a molecular weight of 374.42 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid is sourced from PubChem (CID 101253365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).