6-bromo-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine

C18H12BrClN2S — CID 51361280

IUPAC6-bromo-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESClc1cccc(-c2nc3ccc(Br)cn3c2Cc2ccsc2)c1
InChIInChI=1S/C18H12BrClN2S/c19-14-4-5-17-21-18(13-2-1-3-15(20)9-13)16(22(17)10-14)8-12-6-7-23-11-12/h1-7,9-11H,8H2
InChIKeyGZHUTUPYJRWESG-UHFFFAOYSA-N
MW403.73 g/mol
LogP6.07
Rot. Bonds3

About 6-bromo-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine

6-bromo-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 51361280) has the molecular formula C18H12BrClN2S and a molecular weight of 403.73 g/mol. Its IUPAC name is 6-bromo-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID51361280
Molecular FormulaC18H12BrClN2S
Molecular Weight403.73 g/mol
Exact Mass401.96
IUPAC Name6-bromo-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESClc1cccc(-c2nc3ccc(Br)cn3c2Cc2ccsc2)c1
InChIInChI=1S/C18H12BrClN2S/c19-14-4-5-17-21-18(13-2-1-3-15(20)9-13)16(22(17)10-14)8-12-6-7-23-11-12/h1-7,9-11H,8H2
InChIKeyGZHUTUPYJRWESG-UHFFFAOYSA-N
XLogP6.07
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.73
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine (CID 51361280) is 6-bromo-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is Clc1cccc(-c2nc3ccc(Br)cn3c2Cc2ccsc2)c1.
What is the InChIKey of 6-bromo-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is GZHUTUPYJRWESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN2S/c19-14-4-5-17-21-18(13-2-1-3-15(20)9-13)16(22(17)10-14)8-12-6-7-23-11-12/h1-7,9-11H,8H2.
What are the key properties of 6-bromo-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine?
6-bromo-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 403.73 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 51361280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).