2-(4-fluorophenyl)-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone

C19H24FN3O2 — CID 97413670

IUPAC2-(4-fluorophenyl)-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
SMILESCC(C)OCc1ncn2c1CN(C(=O)Cc1ccc(F)cc1)CCC2
InChIInChI=1S/C19H24FN3O2/c1-14(2)25-12-17-18-11-22(8-3-9-23(18)13-21-17)19(24)10-15-4-6-16(20)7-5-15/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyFCPSEFCQFVALNJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.92
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone

2-(4-fluorophenyl)-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone (PubChem CID 97413670) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
PubChem CID97413670
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name2-(4-fluorophenyl)-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
SMILESCC(C)OCc1ncn2c1CN(C(=O)Cc1ccc(F)cc1)CCC2
InChIInChI=1S/C19H24FN3O2/c1-14(2)25-12-17-18-11-22(8-3-9-23(18)13-21-17)19(24)10-15-4-6-16(20)7-5-15/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyFCPSEFCQFVALNJ-UHFFFAOYSA-N
XLogP2.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone (CID 97413670) is 2-(4-fluorophenyl)-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone is CC(C)OCc1ncn2c1CN(C(=O)Cc1ccc(F)cc1)CCC2.
What is the InChIKey of 2-(4-fluorophenyl)-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone?
The InChIKey is FCPSEFCQFVALNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-14(2)25-12-17-18-11-22(8-3-9-23(18)13-21-17)19(24)10-15-4-6-16(20)7-5-15/h4-7,13-14H,3,8-12H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone?
2-(4-fluorophenyl)-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone has a molecular weight of 345.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone is sourced from PubChem (CID 97413670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).