2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine

C16H18ClN3O — CID 79279836

IUPAC2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2C(C)Cc1ccco1
InChIInChI=1S/C16H18ClN3O/c1-10-7-14-16(18-9-10)20(15(19-14)12(3)17)11(2)8-13-5-4-6-21-13/h4-7,9,11-12H,8H2,1-3H3
InChIKeyMMWVHZIBNJYTQB-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.44
Rot. Bonds4

About 2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine

2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine (PubChem CID 79279836) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine
PubChem CID79279836
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2C(C)Cc1ccco1
InChIInChI=1S/C16H18ClN3O/c1-10-7-14-16(18-9-10)20(15(19-14)12(3)17)11(2)8-13-5-4-6-21-13/h4-7,9,11-12H,8H2,1-3H3
InChIKeyMMWVHZIBNJYTQB-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
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-[4-(furan-2-yl)butan-2-yl]imidazo[4,5-b]pyridine
CID 79273878
2-[1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole
CID 79306151
2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
CID 79301723
2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine
CID 79280361
3-[(4-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79278156
1-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
CID 79300872
3-[(3-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279281
methyl 2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-3-methylbutanoate
CID 79278721
2-(1-chloroethyl)-3-(3,4-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279268
2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79301562
2-(1-chloroethyl)-5-fluoro-1-(furan-2-ylmethyl)benzimidazole
CID 43666310
6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine
CID 79300915

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine (CID 79279836) is 2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(C(C)Cl)n2C(C)Cc1ccco1.
What is the InChIKey of 2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine?
The InChIKey is MMWVHZIBNJYTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10-7-14-16(18-9-10)20(15(19-14)12(3)17)11(2)8-13-5-4-6-21-13/h4-7,9,11-12H,8H2,1-3H3.
What are the key properties of 2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-[1-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine has a molecular weight of 303.79 g/mol, XLogP of 4.44, 4 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-(furan-2-yl)propan-2-yl]-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79279836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).