ethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate

C24H22N2O2 — CID 44591644

IUPACethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate
SMILESCCOC(=O)[C@]1(c2ccccc2)NC(c2ccccc2)=N[C@@H]1c1ccccc1
InChIInChI=1S/C24H22N2O2/c1-2-28-23(27)24(20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)25-22(26-24)19-14-8-4-9-15-19/h3-17,21H,2H2,1H3,(H,25,26)/t21-,24-/m1/s1
InChIKeyWLYVMMJBNLMSEI-ZJSXRUAMSA-N
MW370.45 g/mol
LogP4.24
Rot. Bonds5

About ethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate

ethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate (PubChem CID 44591644) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate
PubChem CID44591644
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Nameethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate
SMILESCCOC(=O)[C@]1(c2ccccc2)NC(c2ccccc2)=N[C@@H]1c1ccccc1
InChIInChI=1S/C24H22N2O2/c1-2-28-23(27)24(20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)25-22(26-24)19-14-8-4-9-15-19/h3-17,21H,2H2,1H3,(H,25,26)/t21-,24-/m1/s1
InChIKeyWLYVMMJBNLMSEI-ZJSXRUAMSA-N
XLogP4.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate?
The IUPAC name of ethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate (CID 44591644) is ethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate.
What is the SMILES notation for ethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate?
The canonical SMILES for ethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate is CCOC(=O)[C@]1(c2ccccc2)NC(c2ccccc2)=N[C@@H]1c1ccccc1.
What is the InChIKey of ethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate?
The InChIKey is WLYVMMJBNLMSEI-ZJSXRUAMSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-2-28-23(27)24(20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)25-22(26-24)19-14-8-4-9-15-19/h3-17,21H,2H2,1H3,(H,25,26)/t21-,24-/m1/s1.
What are the key properties of ethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate?
ethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5R)-2,4,5-triphenyl-1,4-dihydroimidazole-5-carboxylate is sourced from PubChem (CID 44591644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).