4-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N,N-diethylaniline

C17H18BrN3 — CID 24994440

IUPAC4-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2cn3cc(Br)ccc3n2)cc1
InChIInChI=1S/C17H18BrN3/c1-3-20(4-2)15-8-5-13(6-9-15)16-12-21-11-14(18)7-10-17(21)19-16/h5-12H,3-4H2,1-2H3
InChIKeyIPGWFLCOPXZHOM-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.61
Rot. Bonds4

About 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N,N-diethylaniline

4-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N,N-diethylaniline (PubChem CID 24994440) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N,N-diethylaniline
PubChem CID24994440
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name4-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2cn3cc(Br)ccc3n2)cc1
InChIInChI=1S/C17H18BrN3/c1-3-20(4-2)15-8-5-13(6-9-15)16-12-21-11-14(18)7-10-17(21)19-16/h5-12H,3-4H2,1-2H3
InChIKeyIPGWFLCOPXZHOM-UHFFFAOYSA-N
XLogP4.61
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N,N-diethylaniline?
The IUPAC name of 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N,N-diethylaniline (CID 24994440) is 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N,N-diethylaniline.
What is the SMILES notation for 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N,N-diethylaniline?
The canonical SMILES for 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N,N-diethylaniline is CCN(CC)c1ccc(-c2cn3cc(Br)ccc3n2)cc1.
What is the InChIKey of 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N,N-diethylaniline?
The InChIKey is IPGWFLCOPXZHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-3-20(4-2)15-8-5-13(6-9-15)16-12-21-11-14(18)7-10-17(21)19-16/h5-12H,3-4H2,1-2H3.
What are the key properties of 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N,N-diethylaniline?
4-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N,N-diethylaniline has a molecular weight of 344.26 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N,N-diethylaniline is sourced from PubChem (CID 24994440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).