8-[(4-fluorophenyl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C18H24FN3O — CID 97381702

IUPAC8-[(4-fluorophenyl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCC(C)OCc1ncn2c1CN(Cc1ccc(F)cc1)CCC2
InChIInChI=1S/C18H24FN3O/c1-14(2)23-12-17-18-11-21(8-3-9-22(18)13-20-17)10-15-4-6-16(19)7-5-15/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyZOEDVAQNGWJFOO-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.35
Rot. Bonds5

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

8-[(4-fluorophenyl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 97381702) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID97381702
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name8-[(4-fluorophenyl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCC(C)OCc1ncn2c1CN(Cc1ccc(F)cc1)CCC2
InChIInChI=1S/C18H24FN3O/c1-14(2)23-12-17-18-11-21(8-3-9-22(18)13-20-17)10-15-4-6-16(19)7-5-15/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyZOEDVAQNGWJFOO-UHFFFAOYSA-N
XLogP3.35
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 97381702) is 8-[(4-fluorophenyl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is CC(C)OCc1ncn2c1CN(Cc1ccc(F)cc1)CCC2.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is ZOEDVAQNGWJFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-14(2)23-12-17-18-11-21(8-3-9-22(18)13-20-17)10-15-4-6-16(19)7-5-15/h4-7,13-14H,3,8-12H2,1-2H3.
What are the key properties of 8-[(4-fluorophenyl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
8-[(4-fluorophenyl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 317.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 97381702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).