2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine

C16H14ClN3O — CID 79274865

IUPAC2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESClCc1nc2cccnc2n1CC1Cc2ccccc2O1
InChIInChI=1S/C16H14ClN3O/c17-9-15-19-13-5-3-7-18-16(13)20(15)10-12-8-11-4-1-2-6-14(11)21-12/h1-7,12H,8-10H2
InChIKeySZSDLUFMEXPFEM-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.17
Rot. Bonds3

About 2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine

2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 79274865) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID79274865
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESClCc1nc2cccnc2n1CC1Cc2ccccc2O1
InChIInChI=1S/C16H14ClN3O/c17-9-15-19-13-5-3-7-18-16(13)20(15)10-12-8-11-4-1-2-6-14(11)21-12/h1-7,12H,8-10H2
InChIKeySZSDLUFMEXPFEM-UHFFFAOYSA-N
XLogP3.17
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.17
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)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine (CID 79274865) is 2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine is ClCc1nc2cccnc2n1CC1Cc2ccccc2O1.
What is the InChIKey of 2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is SZSDLUFMEXPFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-9-15-19-13-5-3-7-18-16(13)20(15)10-12-8-11-4-1-2-6-14(11)21-12/h1-7,12H,8-10H2.
What are the key properties of 2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 299.76 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79274865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).