2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine

C16H12BrN3 — CID 116621897

IUPAC2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESBrc1ccc2ccn(Cc3cn4ccccc4n3)c2c1
InChIInChI=1S/C16H12BrN3/c17-13-5-4-12-6-8-19(15(12)9-13)10-14-11-20-7-2-1-3-16(20)18-14/h1-9,11H,10H2
InChIKeyYYNDLDPYEDCUPJ-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.10
Rot. Bonds2

About 2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine

2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 116621897) has the molecular formula C16H12BrN3 and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID116621897
Molecular FormulaC16H12BrN3
Molecular Weight326.20 g/mol
Exact Mass325.02
IUPAC Name2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESBrc1ccc2ccn(Cc3cn4ccccc4n3)c2c1
InChIInChI=1S/C16H12BrN3/c17-13-5-4-12-6-8-19(15(12)9-13)10-14-11-20-7-2-1-3-16(20)18-14/h1-9,11H,10H2
InChIKeyYYNDLDPYEDCUPJ-UHFFFAOYSA-N
XLogP4.10
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,6-dichloroindol-1-yl)methyl]imidazo[1,2-a]pyridine
CID 103428261
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid
CID 114189454
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 4701924
2-[(4-bromo-2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 112779233
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazol-2-yl]methanamine
CID 62221773
(1R)-1-[4-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]ethanamine
CID 102946838
imidazo[1,2-a]pyridin-2-ylmethylazanium
CID 7012186
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 38846572
6-[(5-bromoindol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 116619522
2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-2-yl]ethanamine
CID 66404225
2-[(6-bromoindol-1-yl)methyl]benzoic acid
CID 62047229
6-bromo-1-[(3-methyl-2-pyridinyl)methyl]indole
CID 116621884

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine (CID 116621897) is 2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine is Brc1ccc2ccn(Cc3cn4ccccc4n3)c2c1.
What is the InChIKey of 2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is YYNDLDPYEDCUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3/c17-13-5-4-12-6-8-19(15(12)9-13)10-14-11-20-7-2-1-3-16(20)18-14/h1-9,11H,10H2.
What are the key properties of 2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine?
2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 326.20 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoindol-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 116621897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).