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

C16H18ClN3O — CID 79277190

IUPAC2-(2-chloroethyl)-7-methyl-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(C(C)n2c(CCCl)nc3c(C)ccnc32)o1
InChIInChI=1S/C16H18ClN3O/c1-10-7-9-18-16-15(10)19-14(6-8-17)20(16)12(3)13-5-4-11(2)21-13/h4-5,7,9,12H,6,8H2,1-3H3
InChIKeyNSYQQGSTLPCNBD-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.03
Rot. Bonds4

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

2-(2-chloroethyl)-7-methyl-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine (PubChem CID 79277190) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-7-methyl-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-7-methyl-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
PubChem CID79277190
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(2-chloroethyl)-7-methyl-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(C(C)n2c(CCCl)nc3c(C)ccnc32)o1
InChIInChI=1S/C16H18ClN3O/c1-10-7-9-18-16-15(10)19-14(6-8-17)20(16)12(3)13-5-4-11(2)21-13/h4-5,7,9,12H,6,8H2,1-3H3
InChIKeyNSYQQGSTLPCNBD-UHFFFAOYSA-N
XLogP4.03
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.03
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-(2-chloroethyl)-7-methyl-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-7-methyl-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine (CID 79277190) is 2-(2-chloroethyl)-7-methyl-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-7-methyl-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-7-methyl-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine is Cc1ccc(C(C)n2c(CCCl)nc3c(C)ccnc32)o1.
What is the InChIKey of 2-(2-chloroethyl)-7-methyl-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is NSYQQGSTLPCNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10-7-9-18-16-15(10)19-14(6-8-17)20(16)12(3)13-5-4-11(2)21-13/h4-5,7,9,12H,6,8H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-7-methyl-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-7-methyl-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 303.79 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-7-methyl-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79277190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).