1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C12H19BrN2 — CID 112552895

IUPAC1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCCCc1nc(CBr)c2n1CCCC2C
InChIInChI=1S/C12H19BrN2/c1-3-5-11-14-10(8-13)12-9(2)6-4-7-15(11)12/h9H,3-8H2,1-2H3
InChIKeyKSHSCCAGXNODIN-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.63
Rot. Bonds3

About 1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 112552895) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID112552895
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCCCc1nc(CBr)c2n1CCCC2C
InChIInChI=1S/C12H19BrN2/c1-3-5-11-14-10(8-13)12-9(2)6-4-7-15(11)12/h9H,3-8H2,1-2H3
InChIKeyKSHSCCAGXNODIN-UHFFFAOYSA-N
XLogP3.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3-ethyl-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanol
CID 112552392
1-bromo-3-ethyl-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 83843433
2-(1-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanol
CID 117249561
1-(1-bromo-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylmethanamine
CID 83867604
3-tert-butyl-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-amine
CID 83865383
2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile
CID 116836798
1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol
CID 117249555
2-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 117152404
(5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanol
CID 112552614
1-bromo-8-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117250064
1-(3-ethyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)-N-methylmethanamine
CID 83865196
1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249714

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 112552895) is 1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CCCc1nc(CBr)c2n1CCCC2C.
What is the InChIKey of 1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is KSHSCCAGXNODIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-3-5-11-14-10(8-13)12-9(2)6-4-7-15(11)12/h9H,3-8H2,1-2H3.
What are the key properties of 1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 271.20 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 112552895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).