1-[(4-fluoro-3-methylphenyl)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

C20H18FN5O2 — CID 139463230

IUPAC1-[(4-fluoro-3-methylphenyl)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
SMILESCc1cc(CN2CCN(c3ccc4c(n3)OCc3[nH]ncc3-4)C2=O)ccc1F
InChIInChI=1S/C20H18FN5O2/c1-12-8-13(2-4-16(12)21)10-25-6-7-26(20(25)27)18-5-3-14-15-9-22-24-17(15)11-28-19(14)23-18/h2-5,8-9H,6-7,10-11H2,1H3,(H,22,24)
InChIKeyZNZBFOQVNOQBJH-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.25
Rot. Bonds3

About 1-[(4-fluoro-3-methylphenyl)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-[(4-fluoro-3-methylphenyl)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 139463230) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylphenyl)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-[(4-fluoro-3-methylphenyl)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 CID139463230
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name1-[(4-fluoro-3-methylphenyl)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
SMILESCc1cc(CN2CCN(c3ccc4c(n3)OCc3[nH]ncc3-4)C2=O)ccc1F
InChIInChI=1S/C20H18FN5O2/c1-12-8-13(2-4-16(12)21)10-25-6-7-26(20(25)27)18-5-3-14-15-9-22-24-17(15)11-28-19(14)23-18/h2-5,8-9H,6-7,10-11H2,1H3,(H,22,24)
InChIKeyZNZBFOQVNOQBJH-UHFFFAOYSA-N
XLogP3.25
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-fluoro-3-methylphenyl)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-[(4-fluoro-3-methylphenyl)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-[(4-fluoro-3-methylphenyl)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 139463230) is 1-[(4-fluoro-3-methylphenyl)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-[(4-fluoro-3-methylphenyl)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-[(4-fluoro-3-methylphenyl)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 Cc1cc(CN2CCN(c3ccc4c(n3)OCc3[nH]ncc3-4)C2=O)ccc1F.
What is the InChIKey of 1-[(4-fluoro-3-methylphenyl)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 ZNZBFOQVNOQBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-12-8-13(2-4-16(12)21)10-25-6-7-26(20(25)27)18-5-3-14-15-9-22-24-17(15)11-28-19(14)23-18/h2-5,8-9H,6-7,10-11H2,1H3,(H,22,24).
What are the key properties of 1-[(4-fluoro-3-methylphenyl)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-[(4-fluoro-3-methylphenyl)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 379.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylphenyl)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 139463230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).