methyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate

C16H16F3N3O4 — CID 632869

IUPACmethyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(-c2ccc(OC(F)(F)F)cc2)nc1N1CCOCC1
InChIInChI=1S/C16H16F3N3O4/c1-24-15(23)12-14(22-6-8-25-9-7-22)21-13(20-12)10-2-4-11(5-3-10)26-16(17,18)19/h2-5H,6-9H2,1H3,(H,20,21)
InChIKeyOFFPAFHNDHKMOY-UHFFFAOYSA-N
MW371.32 g/mol
LogP2.60
Rot. Bonds4

About methyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate

methyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate (PubChem CID 632869) has the molecular formula C16H16F3N3O4 and a molecular weight of 371.32 g/mol. Its IUPAC name is methyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate
PubChem CID632869
Molecular FormulaC16H16F3N3O4
Molecular Weight371.32 g/mol
Exact Mass371.11
IUPAC Namemethyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(-c2ccc(OC(F)(F)F)cc2)nc1N1CCOCC1
InChIInChI=1S/C16H16F3N3O4/c1-24-15(23)12-14(22-6-8-25-9-7-22)21-13(20-12)10-2-4-11(5-3-10)26-16(17,18)19/h2-5H,6-9H2,1H3,(H,20,21)
InChIKeyOFFPAFHNDHKMOY-UHFFFAOYSA-N
XLogP2.60
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate (CID 632869) is methyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate is COC(=O)c1[nH]c(-c2ccc(OC(F)(F)F)cc2)nc1N1CCOCC1.
What is the InChIKey of methyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate?
The InChIKey is OFFPAFHNDHKMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O4/c1-24-15(23)12-14(22-6-8-25-9-7-22)21-13(20-12)10-2-4-11(5-3-10)26-16(17,18)19/h2-5H,6-9H2,1H3,(H,20,21).
What are the key properties of methyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate?
methyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate has a molecular weight of 371.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 632869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).