2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine

C15H16ClN3S — CID 79294950

IUPAC2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCc1cc(C(C)n2c(CCl)nc3cccnc32)c(C)s1
InChIInChI=1S/C15H16ClN3S/c1-9-7-12(11(3)20-9)10(2)19-14(8-16)18-13-5-4-6-17-15(13)19/h4-7,10H,8H2,1-3H3
InChIKeyYVPYFKKCJYSXHQ-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.46
Rot. Bonds3

About 2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine

2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine (PubChem CID 79294950) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine
PubChem CID79294950
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCc1cc(C(C)n2c(CCl)nc3cccnc32)c(C)s1
InChIInChI=1S/C15H16ClN3S/c1-9-7-12(11(3)20-9)10(2)19-14(8-16)18-13-5-4-6-17-15(13)19/h4-7,10H,8H2,1-3H3
InChIKeyYVPYFKKCJYSXHQ-UHFFFAOYSA-N
XLogP4.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.46
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

2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine
CID 79289366
2-(chloromethyl)-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluorobenzimidazole
CID 62376873
3-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 79289312
2-(chloromethyl)-3-hexan-2-ylimidazo[4,5-b]pyridine
CID 79294961
2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79273103
4-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]morpholine
CID 79294803
2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79294519
2-(2-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294520
6-bromo-2-(chloromethyl)-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridine
CID 79280249
3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79273400
2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79293048
2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79293076

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine (CID 79294950) is 2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine is Cc1cc(C(C)n2c(CCl)nc3cccnc32)c(C)s1.
What is the InChIKey of 2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is YVPYFKKCJYSXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-9-7-12(11(3)20-9)10(2)19-14(8-16)18-13-5-4-6-17-15(13)19/h4-7,10H,8H2,1-3H3.
What are the key properties of 2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 305.83 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).