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

C16H19F2N3O — CID 155871319

IUPAC8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCOCc1ncn2c1CN(Cc1ccc(F)c(F)c1)CCC2
InChIInChI=1S/C16H19F2N3O/c1-22-10-15-16-9-20(5-2-6-21(16)11-19-15)8-12-3-4-13(17)14(18)7-12/h3-4,7,11H,2,5-6,8-10H2,1H3
InChIKeyDUYYKJUVVVPURW-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.71
Rot. Bonds4

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

8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 155871319) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID155871319
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCOCc1ncn2c1CN(Cc1ccc(F)c(F)c1)CCC2
InChIInChI=1S/C16H19F2N3O/c1-22-10-15-16-9-20(5-2-6-21(16)11-19-15)8-12-3-4-13(17)14(18)7-12/h3-4,7,11H,2,5-6,8-10H2,1H3
InChIKeyDUYYKJUVVVPURW-UHFFFAOYSA-N
XLogP2.71
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethoxymethyl)-8-[(3,4-difluorophenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 155876294
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
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-[[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
7-[(3,4-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 136532280
formic acid;8-[(3-methoxyphenyl)methyl]-1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 155876825
2-[4-[(3,4-difluorophenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061399
1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one
CID 69443479
1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873594
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90533989
methyl 1-[(3,4-difluorophenyl)methyl]piperidine-4-carboxylate
CID 78912325

Frequently Asked Questions

What is the IUPAC name of 8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of 8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 155871319) is 8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is COCc1ncn2c1CN(Cc1ccc(F)c(F)c1)CCC2.
What is the InChIKey of 8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is DUYYKJUVVVPURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c1-22-10-15-16-9-20(5-2-6-21(16)11-19-15)8-12-3-4-13(17)14(18)7-12/h3-4,7,11H,2,5-6,8-10H2,1H3.
What are the key properties of 8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 307.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,4-difluorophenyl)methyl]-1-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 155871319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).