(4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid

C19H20N2O2 — CID 135002318

IUPAC(4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid
SMILESCC1=N[C@@](C)(C(=O)O)[C@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C19H20N2O2/c1-14-20-19(2,18(22)23)17(16-11-7-4-8-12-16)21(14)13-15-9-5-3-6-10-15/h3-12,17H,13H2,1-2H3,(H,22,23)/t17-,19+/m0/s1
InChIKeyFFLCUPISWINBGS-PKOBYXMFSA-N
MW308.38 g/mol
LogP3.51
Rot. Bonds4

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

(4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid (PubChem CID 135002318) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid
PubChem CID135002318
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid
SMILESCC1=N[C@@](C)(C(=O)O)[C@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C19H20N2O2/c1-14-20-19(2,18(22)23)17(16-11-7-4-8-12-16)21(14)13-15-9-5-3-6-10-15/h3-12,17H,13H2,1-2H3,(H,22,23)/t17-,19+/m0/s1
InChIKeyFFLCUPISWINBGS-PKOBYXMFSA-N
XLogP3.51
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylic acid;hydrochloride
CID 11669972
methyl (4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 25231639
methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate
CID 44591521
methyl (4R,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylate
CID 44591522
methyl (4R,5R)-3,5-dibenzyl-2,4-diphenyl-4H-imidazole-5-carboxylate
CID 44591523
(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylic acid
CID 11669973
(4S,5S)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid
CID 57675504
(4S,5S)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid
CID 70864045
methyl 5-butan-2-yl-3-butyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-4H-imidazole-5-carboxylate
CID 23629772
methyl 3-cyclohexyl-4-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-5-(2-methylpropyl)-4H-imidazole-5-carboxylate
CID 23629883
methyl 5-butyl-3-cyclohexyl-4-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-4H-imidazole-5-carboxylate
CID 23629885
methyl 4-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-5-(2-methylpropyl)-3-propyl-4H-imidazole-5-carboxylate
CID 23629936

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid?
The IUPAC name of (4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid (CID 135002318) is (4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid.
What is the SMILES notation for (4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid?
The canonical SMILES for (4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid is CC1=N[C@@](C)(C(=O)O)[C@H](c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid?
The InChIKey is FFLCUPISWINBGS-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-20-19(2,18(22)23)17(16-11-7-4-8-12-16)21(14)13-15-9-5-3-6-10-15/h3-12,17H,13H2,1-2H3,(H,22,23)/t17-,19+/m0/s1.
What are the key properties of (4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid?
(4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid is sourced from PubChem (CID 135002318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).