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

C20H18FN5O3 — CID 139463215

IUPAC1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaen-11-yl)imidazolidin-2-one
SMILESCOc1cc(F)cc(CN2CCN(c3ccc4c(n3)OCc3[nH]ncc3-4)C2=O)c1
InChIInChI=1S/C20H18FN5O3/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/h2-3,6-9H,4-5,10-11H2,1H3,(H,22,24)
InChIKeyPZAFFEQFQWLPNY-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.95
Rot. Bonds4

About 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaen-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),2(6),3,10,12-pentaen-11-yl)imidazolidin-2-one (PubChem CID 139463215) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 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),2(6),3,10,12-pentaen-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),2(6),3,10,12-pentaen-11-yl)imidazolidin-2-one
PubChem CID139463215
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaen-11-yl)imidazolidin-2-one
SMILESCOc1cc(F)cc(CN2CCN(c3ccc4c(n3)OCc3[nH]ncc3-4)C2=O)c1
InChIInChI=1S/C20H18FN5O3/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/h2-3,6-9H,4-5,10-11H2,1H3,(H,22,24)
InChIKeyPZAFFEQFQWLPNY-UHFFFAOYSA-N
XLogP2.95
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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),2(6),3,10,12-pentaen-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),2(6),3,10,12-pentaen-11-yl)imidazolidin-2-one (CID 139463215) is 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaen-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),2(6),3,10,12-pentaen-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),2(6),3,10,12-pentaen-11-yl)imidazolidin-2-one is COc1cc(F)cc(CN2CCN(c3ccc4c(n3)OCc3[nH]ncc3-4)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),2(6),3,10,12-pentaen-11-yl)imidazolidin-2-one?
The InChIKey is PZAFFEQFQWLPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/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/h2-3,6-9H,4-5,10-11H2,1H3,(H,22,24).
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),2(6),3,10,12-pentaen-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),2(6),3,10,12-pentaen-11-yl)imidazolidin-2-one has a molecular weight of 395.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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),2(6),3,10,12-pentaen-11-yl)imidazolidin-2-one is sourced from PubChem (CID 139463215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).