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

C19H24FN3O — CID 97381674

IUPAC1-(cyclopropylmethoxymethyl)-8-[(4-fluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESFc1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)cc1
InChIInChI=1S/C19H24FN3O/c20-17-6-4-15(5-7-17)10-22-8-1-9-23-14-21-18(19(23)11-22)13-24-12-16-2-3-16/h4-7,14,16H,1-3,8-13H2
InChIKeyORTRJCFMZSBQOK-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.35
Rot. Bonds6

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

1-(cyclopropylmethoxymethyl)-8-[(4-fluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 97381674) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(cyclopropylmethoxymethyl)-8-[(4-fluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name1-(cyclopropylmethoxymethyl)-8-[(4-fluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID97381674
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-(cyclopropylmethoxymethyl)-8-[(4-fluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESFc1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)cc1
InChIInChI=1S/C19H24FN3O/c20-17-6-4-15(5-7-17)10-22-8-1-9-23-14-21-18(19(23)11-22)13-24-12-16-2-3-16/h4-7,14,16H,1-3,8-13H2
InChIKeyORTRJCFMZSBQOK-UHFFFAOYSA-N
XLogP3.35
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxymethyl)-8-[(4-fluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of 1-(cyclopropylmethoxymethyl)-8-[(4-fluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 97381674) is 1-(cyclopropylmethoxymethyl)-8-[(4-fluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 1-(cyclopropylmethoxymethyl)-8-[(4-fluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 1-(cyclopropylmethoxymethyl)-8-[(4-fluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is Fc1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)cc1.
What is the InChIKey of 1-(cyclopropylmethoxymethyl)-8-[(4-fluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is ORTRJCFMZSBQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c20-17-6-4-15(5-7-17)10-22-8-1-9-23-14-21-18(19(23)11-22)13-24-12-16-2-3-16/h4-7,14,16H,1-3,8-13H2.
What are the key properties of 1-(cyclopropylmethoxymethyl)-8-[(4-fluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
1-(cyclopropylmethoxymethyl)-8-[(4-fluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 329.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxymethyl)-8-[(4-fluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 97381674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).