methyl 3-(4-methylphenyl)-5-morpholin-4-yl-2-phenylimidazole-4-carboxylate

C22H23N3O3 — CID 101359278

IUPACmethyl 3-(4-methylphenyl)-5-morpholin-4-yl-2-phenylimidazole-4-carboxylate
SMILESCOC(=O)c1c(N2CCOCC2)nc(-c2ccccc2)n1-c1ccc(C)cc1
InChIInChI=1S/C22H23N3O3/c1-16-8-10-18(11-9-16)25-19(22(26)27-2)21(24-12-14-28-15-13-24)23-20(25)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3
InChIKeyBCWHXOQEXGIEKI-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.47
Rot. Bonds4

About methyl 3-(4-methylphenyl)-5-morpholin-4-yl-2-phenylimidazole-4-carboxylate

methyl 3-(4-methylphenyl)-5-morpholin-4-yl-2-phenylimidazole-4-carboxylate (PubChem CID 101359278) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl 3-(4-methylphenyl)-5-morpholin-4-yl-2-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methylphenyl)-5-morpholin-4-yl-2-phenylimidazole-4-carboxylate
PubChem CID101359278
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Namemethyl 3-(4-methylphenyl)-5-morpholin-4-yl-2-phenylimidazole-4-carboxylate
SMILESCOC(=O)c1c(N2CCOCC2)nc(-c2ccccc2)n1-c1ccc(C)cc1
InChIInChI=1S/C22H23N3O3/c1-16-8-10-18(11-9-16)25-19(22(26)27-2)21(24-12-14-28-15-13-24)23-20(25)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3
InChIKeyBCWHXOQEXGIEKI-UHFFFAOYSA-N
XLogP3.47
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methylphenyl)-5-morpholin-4-yl-2-phenylimidazole-4-carboxylate?
The IUPAC name of methyl 3-(4-methylphenyl)-5-morpholin-4-yl-2-phenylimidazole-4-carboxylate (CID 101359278) is methyl 3-(4-methylphenyl)-5-morpholin-4-yl-2-phenylimidazole-4-carboxylate.
What is the SMILES notation for methyl 3-(4-methylphenyl)-5-morpholin-4-yl-2-phenylimidazole-4-carboxylate?
The canonical SMILES for methyl 3-(4-methylphenyl)-5-morpholin-4-yl-2-phenylimidazole-4-carboxylate is COC(=O)c1c(N2CCOCC2)nc(-c2ccccc2)n1-c1ccc(C)cc1.
What is the InChIKey of methyl 3-(4-methylphenyl)-5-morpholin-4-yl-2-phenylimidazole-4-carboxylate?
The InChIKey is BCWHXOQEXGIEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-8-10-18(11-9-16)25-19(22(26)27-2)21(24-12-14-28-15-13-24)23-20(25)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3.
What are the key properties of methyl 3-(4-methylphenyl)-5-morpholin-4-yl-2-phenylimidazole-4-carboxylate?
methyl 3-(4-methylphenyl)-5-morpholin-4-yl-2-phenylimidazole-4-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methylphenyl)-5-morpholin-4-yl-2-phenylimidazole-4-carboxylate is sourced from PubChem (CID 101359278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).