2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine

C17H18ClN3 — CID 79279663

IUPAC2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine
SMILESCCCc1ccccc1-n1c(CCl)nc2cc(C)cnc21
InChIInChI=1S/C17H18ClN3/c1-3-6-13-7-4-5-8-15(13)21-16(10-18)20-14-9-12(2)11-19-17(14)21/h4-5,7-9,11H,3,6,10H2,1-2H3
InChIKeyVYEPCXSKSITJKS-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.42
Rot. Bonds4

About 2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine

2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine (PubChem CID 79279663) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine
PubChem CID79279663
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine
SMILESCCCc1ccccc1-n1c(CCl)nc2cc(C)cnc21
InChIInChI=1S/C17H18ClN3/c1-3-6-13-7-4-5-8-15(13)21-16(10-18)20-14-9-12(2)11-19-17(14)21/h4-5,7-9,11H,3,6,10H2,1-2H3
InChIKeyVYEPCXSKSITJKS-UHFFFAOYSA-N
XLogP4.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine (CID 79279663) is 2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine is CCCc1ccccc1-n1c(CCl)nc2cc(C)cnc21.
What is the InChIKey of 2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is VYEPCXSKSITJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-3-6-13-7-4-5-8-15(13)21-16(10-18)20-14-9-12(2)11-19-17(14)21/h4-5,7-9,11H,3,6,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 299.81 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79279663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).