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

C24H22N2O2 — CID 135002305

IUPAC(4S,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid
SMILESC[C@@]1(C(=O)O)N=C(c2ccccc2)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H22N2O2/c1-24(23(27)28)21(19-13-7-3-8-14-19)26(17-18-11-5-2-6-12-18)22(25-24)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3,(H,27,28)/t21-,24+/m0/s1
InChIKeyDBWDTHQDQGJSGW-XUZZJYLKSA-N
MW370.45 g/mol
LogP4.53
Rot. Bonds5

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

(4S,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid (PubChem CID 135002305) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is (4S,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid
PubChem CID135002305
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name(4S,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid
SMILESC[C@@]1(C(=O)O)N=C(c2ccccc2)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C24H22N2O2/c1-24(23(27)28)21(19-13-7-3-8-14-19)26(17-18-11-5-2-6-12-18)22(25-24)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3,(H,27,28)/t21-,24+/m0/s1
InChIKeyDBWDTHQDQGJSGW-XUZZJYLKSA-N
XLogP4.53
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate
CID 10069519
(4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid
CID 68995751
(3,4-dichlorophenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate
CID 25262151
3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid
CID 10429853
(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxamide
CID 25231641
(4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid
CID 101253376
(4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid
CID 101203564
(4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid
CID 101253365
[(1S)-1-phenylethyl] (4R,5S)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 69269481
1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 69269255
ethyl (4R,5R)-3-benzyl-4-(4-methylsulfanylphenyl)-2,5-diphenyl-4H-imidazole-5-carboxylate
CID 71761864
ethyl (4R,5R)-4-(4-aminophenyl)-3-benzyl-2,5-diphenyl-4H-imidazole-5-carboxylate
CID 44591588

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid?
The IUPAC name of (4S,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid (CID 135002305) is (4S,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid.
What is the SMILES notation for (4S,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid?
The canonical SMILES for (4S,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid is C[C@@]1(C(=O)O)N=C(c2ccccc2)N(Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid?
The InChIKey is DBWDTHQDQGJSGW-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-24(23(27)28)21(19-13-7-3-8-14-19)26(17-18-11-5-2-6-12-18)22(25-24)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3,(H,27,28)/t21-,24+/m0/s1.
What are the key properties of (4S,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid?
(4S,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid is sourced from PubChem (CID 135002305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).