1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine

C14H15BrN2 — CID 21203111

IUPAC1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine
SMILESBrc1cccc(-c2ncn3c2CCCCC3)c1
InChIInChI=1S/C14H15BrN2/c15-12-6-4-5-11(9-12)14-13-7-2-1-3-8-17(13)10-16-14/h4-6,9-10H,1-3,7-8H2
InChIKeyBVIYAPVDJURBTF-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.04
Rot. Bonds1

About 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine

1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine (PubChem CID 21203111) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine.

Molecular Properties

Compound Name1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine
PubChem CID21203111
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine
SMILESBrc1cccc(-c2ncn3c2CCCCC3)c1
InChIInChI=1S/C14H15BrN2/c15-12-6-4-5-11(9-12)14-13-7-2-1-3-8-17(13)10-16-14/h4-6,9-10H,1-3,7-8H2
InChIKeyBVIYAPVDJURBTF-UHFFFAOYSA-N
XLogP4.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine chloride
CID 21203110
1-(3-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 69362971
[3-(3-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanol
CID 116836872
3-(3-bromophenyl)-1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4613171
[2-(3-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanol
CID 116854064
1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 69362444
3-(3-bromophenyl)-1-(2-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4671899
4,5-bis(3-bromophenyl)-2-phenyltriazole
CID 141418930
2-(azepan-1-ylmethyl)-5-(3-bromophenyl)-1,3,4-oxadiazole;hydrochloride
CID 126460668
4-bromo-3-(3-bromophenyl)-1,2-oxazole
CID 14372258
1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine
CID 71395671
6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166448296

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine?
The IUPAC name of 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine (CID 21203111) is 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine.
What is the SMILES notation for 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine?
The canonical SMILES for 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine is Brc1cccc(-c2ncn3c2CCCCC3)c1.
What is the InChIKey of 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine?
The InChIKey is BVIYAPVDJURBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c15-12-6-4-5-11(9-12)14-13-7-2-1-3-8-17(13)10-16-14/h4-6,9-10H,1-3,7-8H2.
What are the key properties of 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine?
1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine has a molecular weight of 291.19 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine is sourced from PubChem (CID 21203111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).