2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine

C15H16ClN3S — CID 79293076

IUPAC2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(C(C)n2c(CCl)nc3c(C)ccnc32)s1
InChIInChI=1S/C15H16ClN3S/c1-9-6-7-17-15-14(9)18-13(8-16)19(15)11(3)12-5-4-10(2)20-12/h4-7,11H,8H2,1-3H3
InChIKeyHUJPONMVUDDWKG-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.46
Rot. Bonds3

About 2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine

2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine (PubChem CID 79293076) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine
PubChem CID79293076
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(C(C)n2c(CCl)nc3c(C)ccnc32)s1
InChIInChI=1S/C15H16ClN3S/c1-9-6-7-17-15-14(9)18-13(8-16)19(15)11(3)12-5-4-10(2)20-12/h4-7,11H,8H2,1-3H3
InChIKeyHUJPONMVUDDWKG-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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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine (CID 79293076) is 2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine is Cc1ccc(C(C)n2c(CCl)nc3c(C)ccnc32)s1.
What is the InChIKey of 2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is HUJPONMVUDDWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-9-6-7-17-15-14(9)18-13(8-16)19(15)11(3)12-5-4-10(2)20-12/h4-7,11H,8H2,1-3H3.
What are the key properties of 2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine?
2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-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)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79293076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).