ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate

C20H20N2O2 — CID 46929836

IUPACethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-3-24-20(23)18-15(2)21-19(17-12-8-5-9-13-17)22(18)14-16-10-6-4-7-11-16/h4-13H,3,14H2,1-2H3
InChIKeyQQCCTVQBDKWBPW-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.08
Rot. Bonds5

About ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate

ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate (PubChem CID 46929836) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate
PubChem CID46929836
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Nameethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C20H20N2O2/c1-3-24-20(23)18-15(2)21-19(17-12-8-5-9-13-17)22(18)14-16-10-6-4-7-11-16/h4-13H,3,14H2,1-2H3
InChIKeyQQCCTVQBDKWBPW-UHFFFAOYSA-N
XLogP4.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 54682554
diethyl 1-benzyl-5-methyl-3-phenylpyrrole-2,4-dicarboxylate
CID 67238833
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
ethyl 1-benzyl-3,4-diphenylpyrrole-2-carboxylate
CID 10915918
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
ethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate
CID 171365941
ethyl 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 1151992
ethyl 4-benzoyl-1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 10451241
diethyl 1-benzyl-4-iodopyrazole-3,5-dicarboxylate
CID 135309002
ethyl 3-benzyl-2-methylbenzimidazole-5-carboxylate
CID 18681119
ethyl 3-benzyl-4-oxoquinazoline-2-carboxylate
CID 53277831
ethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 661090

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate?
The IUPAC name of ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate (CID 46929836) is ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate?
The canonical SMILES for ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate is CCOC(=O)c1c(C)nc(-c2ccccc2)n1Cc1ccccc1.
What is the InChIKey of ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate?
The InChIKey is QQCCTVQBDKWBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-24-20(23)18-15(2)21-19(17-12-8-5-9-13-17)22(18)14-16-10-6-4-7-11-16/h4-13H,3,14H2,1-2H3.
What are the key properties of ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate?
ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate is sourced from PubChem (CID 46929836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).