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

C26H26N2O2 — CID 135002299

IUPAC(4S,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid
SMILESCC(C)[C@@]1(C(=O)O)N=C(c2ccccc2)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C26H26N2O2/c1-19(2)26(25(29)30)23(21-14-8-4-9-15-21)28(18-20-12-6-3-7-13-20)24(27-26)22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3,(H,29,30)/t23-,26+/m0/s1
InChIKeyRQQFZNXBCHHDNX-JYFHCDHNSA-N
MW398.51 g/mol
LogP5.17
Rot. Bonds6

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

(4S,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid (PubChem CID 135002299) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (4S,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid
PubChem CID135002299
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name(4S,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid
SMILESCC(C)[C@@]1(C(=O)O)N=C(c2ccccc2)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C26H26N2O2/c1-19(2)26(25(29)30)23(21-14-8-4-9-15-21)28(18-20-12-6-3-7-13-20)24(27-26)22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3,(H,29,30)/t23-,26+/m0/s1
InChIKeyRQQFZNXBCHHDNX-JYFHCDHNSA-N
XLogP5.17
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

(4R*,5R*)-1-Benzyl-2,4,5-triphenyl-4,5-dihydro-1H-imidazole-4-carboxylic acid ethyl ester
CID 25210570
ethyl (4S,5S)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 25231810
(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylic acid;hydrochloride
CID 11669972
ethyl (4R,5R)-3-benzyl-4-(4-fluorophenyl)-2,5-diphenyl-4H-imidazole-5-carboxylate
CID 44591590
ethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 25261861
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
propyl (4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 44591542
propan-2-yl (4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 44591543
ethyl (4R,5R)-3-[(4-methylphenyl)methyl]-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 44591609

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid?
The IUPAC name of (4S,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid (CID 135002299) is (4S,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid.
What is the SMILES notation for (4S,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid?
The canonical SMILES for (4S,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid is CC(C)[C@@]1(C(=O)O)N=C(c2ccccc2)N(Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid?
The InChIKey is RQQFZNXBCHHDNX-JYFHCDHNSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-19(2)26(25(29)30)23(21-14-8-4-9-15-21)28(18-20-12-6-3-7-13-20)24(27-26)22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3,(H,29,30)/t23-,26+/m0/s1.
What are the key properties of (4S,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid?
(4S,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid has a molecular weight of 398.51 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid is sourced from PubChem (CID 135002299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).