4-amino-5-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-methylimidazol-2-one

C14H18FN3O2 — CID 114835193

IUPAC4-amino-5-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-methylimidazol-2-one
SMILESCOCCN1C(=O)N=C(N)C1(C)Cc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2/c1-14(9-10-4-3-5-11(15)8-10)12(16)17-13(19)18(14)6-7-20-2/h3-5,8H,6-7,9H2,1-2H3,(H2,16,17,19)
InChIKeyULMPNDQPBVZKKW-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.57
Rot. Bonds5

About 4-amino-5-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-methylimidazol-2-one

4-amino-5-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-methylimidazol-2-one (PubChem CID 114835193) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-amino-5-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-methylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-methylimidazol-2-one
PubChem CID114835193
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name4-amino-5-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-methylimidazol-2-one
SMILESCOCCN1C(=O)N=C(N)C1(C)Cc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2/c1-14(9-10-4-3-5-11(15)8-10)12(16)17-13(19)18(14)6-7-20-2/h3-5,8H,6-7,9H2,1-2H3,(H2,16,17,19)
InChIKeyULMPNDQPBVZKKW-UHFFFAOYSA-N
XLogP1.57
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-methylimidazol-2-one?
The IUPAC name of 4-amino-5-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-methylimidazol-2-one (CID 114835193) is 4-amino-5-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-methylimidazol-2-one.
What is the SMILES notation for 4-amino-5-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-methylimidazol-2-one?
The canonical SMILES for 4-amino-5-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-methylimidazol-2-one is COCCN1C(=O)N=C(N)C1(C)Cc1cccc(F)c1.
What is the InChIKey of 4-amino-5-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-methylimidazol-2-one?
The InChIKey is ULMPNDQPBVZKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-14(9-10-4-3-5-11(15)8-10)12(16)17-13(19)18(14)6-7-20-2/h3-5,8H,6-7,9H2,1-2H3,(H2,16,17,19).
What are the key properties of 4-amino-5-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-methylimidazol-2-one?
4-amino-5-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-methylimidazol-2-one has a molecular weight of 279.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-methylimidazol-2-one is sourced from PubChem (CID 114835193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).