1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one

C11H15BrN2O — CID 83693979

IUPAC1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one
SMILESCC(=O)Cc1nc2n(c1Br)CCC(C)C2
InChIInChI=1S/C11H15BrN2O/c1-7-3-4-14-10(5-7)13-9(11(14)12)6-8(2)15/h7H,3-6H2,1-2H3
InChIKeyHJYFDZKTAGKXOY-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.36
Rot. Bonds2

About 1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one

1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one (PubChem CID 83693979) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one
PubChem CID83693979
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one
SMILESCC(=O)Cc1nc2n(c1Br)CCC(C)C2
InChIInChI=1S/C11H15BrN2O/c1-7-3-4-14-10(5-7)13-9(11(14)12)6-8(2)15/h7H,3-6H2,1-2H3
InChIKeyHJYFDZKTAGKXOY-UHFFFAOYSA-N
XLogP2.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-7-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82124477
7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
CID 83866335
3-ethyl-2,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 83218126
7-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82120508
(3S)-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxylic acid
CID 94217380
(3S)-N-[2-(dimethylamino)ethyl]-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 92752193
(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol
CID 117247200
(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanamine
CID 117247121
3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 91675306
(3R)-N-(2-methoxyethyl)-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 92752194
3-[(dimethylamino)methyl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247241
2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 117151111

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one?
The IUPAC name of 1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one (CID 83693979) is 1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one.
What is the SMILES notation for 1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one?
The canonical SMILES for 1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one is CC(=O)Cc1nc2n(c1Br)CCC(C)C2.
What is the InChIKey of 1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one?
The InChIKey is HJYFDZKTAGKXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-7-3-4-14-10(5-7)13-9(11(14)12)6-8(2)15/h7H,3-6H2,1-2H3.
What are the key properties of 1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one?
1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one has a molecular weight of 271.16 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)propan-2-one is sourced from PubChem (CID 83693979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).