ethyl 2-(4-fluorophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate

C16H18FN3O3 — CID 629198

IUPACethyl 2-(4-fluorophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccc(F)cc2)nc1N1CCOCC1
InChIInChI=1S/C16H18FN3O3/c1-2-23-16(21)13-15(20-7-9-22-10-8-20)19-14(18-13)11-3-5-12(17)6-4-11/h3-6H,2,7-10H2,1H3,(H,18,19)
InChIKeyZLTCOKRSYPHYQA-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.23
Rot. Bonds4

About ethyl 2-(4-fluorophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate

ethyl 2-(4-fluorophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate (PubChem CID 629198) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate
PubChem CID629198
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Nameethyl 2-(4-fluorophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccc(F)cc2)nc1N1CCOCC1
InChIInChI=1S/C16H18FN3O3/c1-2-23-16(21)13-15(20-7-9-22-10-8-20)19-14(18-13)11-3-5-12(17)6-4-11/h3-6H,2,7-10H2,1H3,(H,18,19)
InChIKeyZLTCOKRSYPHYQA-UHFFFAOYSA-N
XLogP2.23
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate (CID 629198) is ethyl 2-(4-fluorophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]c(-c2ccc(F)cc2)nc1N1CCOCC1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate?
The InChIKey is ZLTCOKRSYPHYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-2-23-16(21)13-15(20-7-9-22-10-8-20)19-14(18-13)11-3-5-12(17)6-4-11/h3-6H,2,7-10H2,1H3,(H,18,19).
What are the key properties of ethyl 2-(4-fluorophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate?
ethyl 2-(4-fluorophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate has a molecular weight of 319.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 629198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).