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

C15H16ClN3O — CID 79294590

IUPAC2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(C(C)n2c(C(C)Cl)nc3cccnc32)o1
InChIInChI=1S/C15H16ClN3O/c1-9-6-7-13(20-9)11(3)19-14(10(2)16)18-12-5-4-8-17-15(12)19/h4-8,10-11H,1-3H3
InChIKeyFWCGZCUJJWHNKC-UHFFFAOYSA-N
MW289.77 g/mol
LogP4.24
Rot. Bonds3

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

2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine (PubChem CID 79294590) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
PubChem CID79294590
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(C(C)n2c(C(C)Cl)nc3cccnc32)o1
InChIInChI=1S/C15H16ClN3O/c1-9-6-7-13(20-9)11(3)19-14(10(2)16)18-12-5-4-8-17-15(12)19/h4-8,10-11H,1-3H3
InChIKeyFWCGZCUJJWHNKC-UHFFFAOYSA-N
XLogP4.24
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 54.24
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-(2-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294520
2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79274686
2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
CID 79294510
2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine
CID 79294169
2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine
CID 79273878
2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine
CID 79273265
2-(1-chloroethyl)-5-methyl-3-(1-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
CID 81141255
4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine
CID 83018013
2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79294324
2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
CID 79290021
5-[[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole
CID 79294739
2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79295037

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine (CID 79294590) is 2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine is Cc1ccc(C(C)n2c(C(C)Cl)nc3cccnc32)o1.
What is the InChIKey of 2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is FWCGZCUJJWHNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9-6-7-13(20-9)11(3)19-14(10(2)16)18-12-5-4-8-17-15(12)19/h4-8,10-11H,1-3H3.
What are the key properties of 2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 289.77 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).