6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine

C15H15BrClN3S — CID 79280071

IUPAC6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(C(C)n2c(CCCl)nc3cc(Br)cnc32)s1
InChIInChI=1S/C15H15BrClN3S/c1-9-3-4-13(21-9)10(2)20-14(5-6-17)19-12-7-11(16)8-18-15(12)20/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyLIMDTAVKRJGJPS-UHFFFAOYSA-N
MW384.73 g/mol
LogP4.95
Rot. Bonds4

About 6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine

6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine (PubChem CID 79280071) has the molecular formula C15H15BrClN3S and a molecular weight of 384.73 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine
PubChem CID79280071
Molecular FormulaC15H15BrClN3S
Molecular Weight384.73 g/mol
Exact Mass382.99
IUPAC Name6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(C(C)n2c(CCCl)nc3cc(Br)cnc32)s1
InChIInChI=1S/C15H15BrClN3S/c1-9-3-4-13(21-9)10(2)20-14(5-6-17)19-12-7-11(16)8-18-15(12)20/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyLIMDTAVKRJGJPS-UHFFFAOYSA-N
XLogP4.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.73
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79302460
7-chloro-2-(2-chloroethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 63545596
6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 79302094
6-bromo-2-(chloromethyl)-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridine
CID 79280249
6-bromo-2-(2-chloroethyl)-3-(1-imidazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79278608
6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine
CID 102906922
5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 61477689
6-bromo-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine
CID 79302725
6-bromo-2-(2-chloroethyl)-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
CID 79363129
2-(2-chloroethyl)-6-methyl-3-(3-methylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79300995
6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79279729
3-butan-2-yl-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301558

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine (CID 79280071) is 6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine is Cc1ccc(C(C)n2c(CCCl)nc3cc(Br)cnc32)s1.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is LIMDTAVKRJGJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3S/c1-9-3-4-13(21-9)10(2)20-14(5-6-17)19-12-7-11(16)8-18-15(12)20/h3-4,7-8,10H,5-6H2,1-2H3.
What are the key properties of 6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine?
6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 384.73 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79280071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).