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

C17H21BrN2 — CID 84609635

IUPAC3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC(C)(C)c1ccc(-c2nc(Br)n3c2CCCC3)cc1
InChIInChI=1S/C17H21BrN2/c1-17(2,3)13-9-7-12(8-10-13)15-14-6-4-5-11-20(14)16(18)19-15/h7-10H,4-6,11H2,1-3H3
InChIKeyUQCZITUAVWTFES-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.95
Rot. Bonds1

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

3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 84609635) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID84609635
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC(C)(C)c1ccc(-c2nc(Br)n3c2CCCC3)cc1
InChIInChI=1S/C17H21BrN2/c1-17(2,3)13-9-7-12(8-10-13)15-14-6-4-5-11-20(14)16(18)19-15/h7-10H,4-6,11H2,1-3H3
InChIKeyUQCZITUAVWTFES-UHFFFAOYSA-N
XLogP4.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-3-methylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 135156118
3-bromo-1-(methylsulfanylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247191
1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 116836759
3-bromo-2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82124802
3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984426
(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol
CID 117247198
2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine
CID 143714645
3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 657731
3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 117061879
5-bromo-4-(4-tert-butylphenyl)-2-methyl-1,3-oxazole
CID 82134975
1-N-butyl-3-N-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073419
2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 170722335

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 84609635) is 3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC(C)(C)c1ccc(-c2nc(Br)n3c2CCCC3)cc1.
What is the InChIKey of 3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is UQCZITUAVWTFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-17(2,3)13-9-7-12(8-10-13)15-14-6-4-5-11-20(14)16(18)19-15/h7-10H,4-6,11H2,1-3H3.
What are the key properties of 3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 333.27 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 84609635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).