1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one

C20H22FN5O3 — CID 155490052

IUPAC1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one
SMILESCOc1cc(F)cc(CN2CCN(c3ccc4c(n3)OCC3NNCC43)C2=O)c1
InChIInChI=1S/C20H22FN5O3/c1-28-14-7-12(6-13(21)8-14)10-25-4-5-26(20(25)27)18-3-2-15-16-9-22-24-17(16)11-29-19(15)23-18/h2-3,6-8,16-17,22,24H,4-5,9-11H2,1H3
InChIKeyQFSOMPLCMHBMDJ-UHFFFAOYSA-N
MW399.43 g/mol
LogP1.62
Rot. Bonds4

About 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one

1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one (PubChem CID 155490052) has the molecular formula C20H22FN5O3 and a molecular weight of 399.43 g/mol. Its IUPAC name is 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one
PubChem CID155490052
Molecular FormulaC20H22FN5O3
Molecular Weight399.43 g/mol
Exact Mass399.17
IUPAC Name1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one
SMILESCOc1cc(F)cc(CN2CCN(c3ccc4c(n3)OCC3NNCC43)C2=O)c1
InChIInChI=1S/C20H22FN5O3/c1-28-14-7-12(6-13(21)8-14)10-25-4-5-26(20(25)27)18-3-2-15-16-9-22-24-17(16)11-29-19(15)23-18/h2-3,6-8,16-17,22,24H,4-5,9-11H2,1H3
InChIKeyQFSOMPLCMHBMDJ-UHFFFAOYSA-N
XLogP1.62
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one 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 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one?
The IUPAC name of 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one (CID 155490052) is 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one.
What is the SMILES notation for 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one?
The canonical SMILES for 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one is COc1cc(F)cc(CN2CCN(c3ccc4c(n3)OCC3NNCC43)C2=O)c1.
What is the InChIKey of 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one?
The InChIKey is QFSOMPLCMHBMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3/c1-28-14-7-12(6-13(21)8-14)10-25-4-5-26(20(25)27)18-3-2-15-16-9-22-24-17(16)11-29-19(15)23-18/h2-3,6-8,16-17,22,24H,4-5,9-11H2,1H3.
What are the key properties of 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one?
1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one has a molecular weight of 399.43 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one is sourced from PubChem (CID 155490052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).