4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine

C14H12ClN3O — CID 3086242

IUPAC4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine
SMILESCn1cnc2c(OCc3ccccc3Cl)nccc21
InChIInChI=1S/C14H12ClN3O/c1-18-9-17-13-12(18)6-7-16-14(13)19-8-10-4-2-3-5-11(10)15/h2-7,9H,8H2,1H3
InChIKeyXRGNABQSJLQUGV-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.20
Rot. Bonds3

About 4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine

4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine (PubChem CID 3086242) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine
PubChem CID3086242
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine
SMILESCn1cnc2c(OCc3ccccc3Cl)nccc21
InChIInChI=1S/C14H12ClN3O/c1-18-9-17-13-12(18)6-7-16-14(13)19-8-10-4-2-3-5-11(10)15/h2-7,9H,8H2,1H3
InChIKeyXRGNABQSJLQUGV-UHFFFAOYSA-N
XLogP3.20
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine (CID 3086242) is 4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine is Cn1cnc2c(OCc3ccccc3Cl)nccc21.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine?
The InChIKey is XRGNABQSJLQUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-18-9-17-13-12(18)6-7-16-14(13)19-8-10-4-2-3-5-11(10)15/h2-7,9H,8H2,1H3.
What are the key properties of 4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine?
4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine has a molecular weight of 273.72 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 3086242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).