1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C19H23F2N3O — CID 155876294

IUPAC1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESFc1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)cc1F
InChIInChI=1S/C19H23F2N3O/c20-16-5-4-15(8-17(16)21)9-23-6-1-7-24-13-22-18(19(24)10-23)12-25-11-14-2-3-14/h4-5,8,13-14H,1-3,6-7,9-12H2
InChIKeyJESGLPUTFXXMHE-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.49
Rot. Bonds6

About 1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 155876294) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID155876294
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESFc1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)cc1F
InChIInChI=1S/C19H23F2N3O/c20-16-5-4-15(8-17(16)21)9-23-6-1-7-24-13-22-18(19(24)10-23)12-25-11-14-2-3-14/h4-5,8,13-14H,1-3,6-7,9-12H2
InChIKeyJESGLPUTFXXMHE-UHFFFAOYSA-N
XLogP3.49
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 155871319
2-[[8-[(4-methoxyphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanol;2,2,2-trifluoroacetic acid
CID 155853518
8-[(4-fluorophenyl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 118745381
7-[(3,4-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 136532280
6-[(3,4-difluorophenyl)methyl]-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 155875507
2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728410
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208
2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95829511
1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707
(7R)-5-[(3,4-difluorophenyl)methyl]-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124781866
(3aS,6aS)-3a-(cyclopentylmethoxymethyl)-2-[(3,4-difluorophenyl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole;formic acid
CID 155879520
3-(cyclopropylmethoxymethyl)-5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155829444

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of 1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 155876294) is 1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is Fc1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)cc1F.
What is the InChIKey of 1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is JESGLPUTFXXMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c20-16-5-4-15(8-17(16)21)9-23-6-1-7-24-13-22-18(19(24)10-23)12-25-11-14-2-3-14/h4-5,8,13-14H,1-3,6-7,9-12H2.
What are the key properties of 1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 347.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 155876294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).