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

C14H15BrClN2- — CID 21203110

IUPAC1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine chloride
SMILESBrc1cccc(-c2ncn3c2CCCCC3)c1.[Cl-]
InChIInChI=1S/C14H15BrN2.ClH/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;1H/p-1
InChIKeyIRPCUTALNPHLHB-UHFFFAOYSA-M
MW326.64 g/mol
LogP1.04
Rot. Bonds1

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

1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine chloride (PubChem CID 21203110) has the molecular formula C14H15BrClN2- and a molecular weight of 326.64 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine chloride.

Molecular Properties

Compound Name1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine chloride
PubChem CID21203110
Molecular FormulaC14H15BrClN2-
Molecular Weight326.64 g/mol
Exact Mass325.01
IUPAC Name1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine chloride
SMILESBrc1cccc(-c2ncn3c2CCCCC3)c1.[Cl-]
InChIInChI=1S/C14H15BrN2.ClH/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;1H/p-1
InChIKeyIRPCUTALNPHLHB-UHFFFAOYSA-M
XLogP1.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.64
LogP ≤ 51.04
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
CID 21203111
3-(3-bromophenyl)-1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4613171
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
[2-(3-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanol
CID 116854064
3-(3-bromophenyl)-1-(2-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4671899
1-(3-bromophenyl)-7-[(3-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 69362444
2-(3-bromophenyl)pyrimidine
CID 26967381
4,5-bis(3-bromophenyl)-2-phenyltriazole
CID 141418930
2-(azepan-1-ylmethyl)-5-(3-bromophenyl)-1,3,4-oxadiazole;hydrochloride
CID 126460668
3-(3-bromophenyl)-1-(4-bromophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4216565
3-(3-bromophenyl)-1-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4255056

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine chloride?
The IUPAC name of 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine chloride (CID 21203110) is 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine chloride.
What is the SMILES notation for 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine chloride?
The canonical SMILES for 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine chloride is Brc1cccc(-c2ncn3c2CCCCC3)c1.[Cl-].
What is the InChIKey of 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine chloride?
The InChIKey is IRPCUTALNPHLHB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15BrN2.ClH/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;1H/p-1.
What are the key properties of 1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine chloride?
1-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine chloride has a molecular weight of 326.64 g/mol, XLogP of 1.04, 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 chloride is sourced from PubChem (CID 21203110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).