1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C16H19BrN2 — CID 116836759

IUPAC1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCCCc1ccc(-c2nc(Br)c3n2CCCC3)cc1
InChIInChI=1S/C16H19BrN2/c1-2-5-12-7-9-13(10-8-12)16-18-15(17)14-6-3-4-11-19(14)16/h7-10H,2-6,11H2,1H3
InChIKeyPUTMHCCFIFXFFO-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.60
Rot. Bonds3

About 1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 116836759) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID116836759
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCCCc1ccc(-c2nc(Br)c3n2CCCC3)cc1
InChIInChI=1S/C16H19BrN2/c1-2-5-12-7-9-13(10-8-12)16-18-15(17)14-6-3-4-11-19(14)16/h7-10H,2-6,11H2,1H3
InChIKeyPUTMHCCFIFXFFO-UHFFFAOYSA-N
XLogP4.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]methanamine
CID 116984588
N-ethyl-N-(4-ethylphenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551169
2-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 83218637
[3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine
CID 116836659
[3-(3-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanol
CID 116836872
[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-(4-propylpiperazin-1-yl)methanone
CID 22551147
N-butyl-N-methyl-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 6626025
2-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)ethanamine
CID 83648755
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551185
(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol
CID 117247227
3-bromo-2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82124802
3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
CID 116836747

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 116836759) is 1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CCCc1ccc(-c2nc(Br)c3n2CCCC3)cc1.
What is the InChIKey of 1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is PUTMHCCFIFXFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-2-5-12-7-9-13(10-8-12)16-18-15(17)14-6-3-4-11-19(14)16/h7-10H,2-6,11H2,1H3.
What are the key properties of 1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 319.25 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 116836759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).