methyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate

C15H18N2O3 — CID 15885775

IUPACmethyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate
SMILESCOC(=O)[C@@]1(C)[C@@H](C)N=C(C)N1C(=O)c1ccccc1
InChIInChI=1S/C15H18N2O3/c1-10-15(3,14(19)20-4)17(11(2)16-10)13(18)12-8-6-5-7-9-12/h5-10H,1-4H3/t10-,15-/m1/s1
InChIKeyYKOWSNFEAHNXCM-MEBBXXQBSA-N
MW274.32 g/mol
LogP1.88
Rot. Bonds2

About methyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate

methyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate (PubChem CID 15885775) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate
PubChem CID15885775
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate
SMILESCOC(=O)[C@@]1(C)[C@@H](C)N=C(C)N1C(=O)c1ccccc1
InChIInChI=1S/C15H18N2O3/c1-10-15(3,14(19)20-4)17(11(2)16-10)13(18)12-8-6-5-7-9-12/h5-10H,1-4H3/t10-,15-/m1/s1
InChIKeyYKOWSNFEAHNXCM-MEBBXXQBSA-N
XLogP1.88
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate?
The IUPAC name of methyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate (CID 15885775) is methyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate.
What is the SMILES notation for methyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate?
The canonical SMILES for methyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate is COC(=O)[C@@]1(C)[C@@H](C)N=C(C)N1C(=O)c1ccccc1.
What is the InChIKey of methyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate?
The InChIKey is YKOWSNFEAHNXCM-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-15(3,14(19)20-4)17(11(2)16-10)13(18)12-8-6-5-7-9-12/h5-10H,1-4H3/t10-,15-/m1/s1.
What are the key properties of methyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate?
methyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-1-benzoyl-2,4,5-trimethyl-4H-imidazole-5-carboxylate is sourced from PubChem (CID 15885775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).