1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one

C23H26FN3O3 — CID 10237852

IUPAC1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one
SMILESCOc1ccc(-n2ccn(-c3cccc(F)c3)c2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C23H26FN3O3/c1-29-21-9-8-20(17-22(21)30-15-14-25-10-3-2-4-11-25)27-13-12-26(23(27)28)19-7-5-6-18(24)16-19/h5-9,12-13,16-17H,2-4,10-11,14-15H2,1H3
InChIKeyKBWHXMDBZQWTBZ-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.64
Rot. Bonds7

About 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one

1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one (PubChem CID 10237852) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one
PubChem CID10237852
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one
SMILESCOc1ccc(-n2ccn(-c3cccc(F)c3)c2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C23H26FN3O3/c1-29-21-9-8-20(17-22(21)30-15-14-25-10-3-2-4-11-25)27-13-12-26(23(27)28)19-7-5-6-18(24)16-19/h5-9,12-13,16-17H,2-4,10-11,14-15H2,1H3
InChIKeyKBWHXMDBZQWTBZ-UHFFFAOYSA-N
XLogP3.64
TPSA48.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one (CID 10237852) is 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one is COc1ccc(-n2ccn(-c3cccc(F)c3)c2=O)cc1OCCN1CCCCC1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one?
The InChIKey is KBWHXMDBZQWTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-29-21-9-8-20(17-22(21)30-15-14-25-10-3-2-4-11-25)27-13-12-26(23(27)28)19-7-5-6-18(24)16-19/h5-9,12-13,16-17H,2-4,10-11,14-15H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one?
1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one has a molecular weight of 411.48 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazol-2-one is sourced from PubChem (CID 10237852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).