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

C16H18ClN3O — CID 79273878

IUPAC2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cccnc2n1C(C)CCc1ccco1
InChIInChI=1S/C16H18ClN3O/c1-11(7-8-13-5-4-10-21-13)20-15(12(2)17)19-14-6-3-9-18-16(14)20/h3-6,9-12H,7-8H2,1-2H3
InChIKeyQJNUOLHIBAYPIJ-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.52
Rot. Bonds5

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

2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine (PubChem CID 79273878) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine
PubChem CID79273878
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cccnc2n1C(C)CCc1ccco1
InChIInChI=1S/C16H18ClN3O/c1-11(7-8-13-5-4-10-21-13)20-15(12(2)17)19-14-6-3-9-18-16(14)20/h3-6,9-12H,7-8H2,1-2H3
InChIKeyQJNUOLHIBAYPIJ-UHFFFAOYSA-N
XLogP4.52
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.52
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-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine
CID 79279836
2-(1-chloroethyl)-3-hexan-3-ylimidazo[4,5-b]pyridine
CID 79294169
2-(1-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294590
3-[4-(furan-2-yl)butan-2-yl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288390
2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine
CID 79273265
2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
CID 79294510
2-(1-chloroethyl)-3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79294324
2-(1-chloroethyl)-3-[1-(3-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79274686
4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]morpholine
CID 83018013
2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine
CID 79289928
2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
CID 79290021
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-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine (CID 79273878) is 2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine is CC(Cl)c1nc2cccnc2n1C(C)CCc1ccco1.
What is the InChIKey of 2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine?
The InChIKey is QJNUOLHIBAYPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11(7-8-13-5-4-10-21-13)20-15(12(2)17)19-14-6-3-9-18-16(14)20/h3-6,9-12H,7-8H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine has a molecular weight of 303.79 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79273878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).