2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine

C16H16ClN3O — CID 79273328

IUPAC2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine
SMILESCOc1ccc(C)cc1-n1c(C(C)Cl)nc2cnccc21
InChIInChI=1S/C16H16ClN3O/c1-10-4-5-15(21-3)14(8-10)20-13-6-7-18-9-12(13)19-16(20)11(2)17/h4-9,11H,1-3H3
InChIKeyJCPWAJAVIRKJTI-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.04
Rot. Bonds3

About 2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine

2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine (PubChem CID 79273328) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine
PubChem CID79273328
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine
SMILESCOc1ccc(C)cc1-n1c(C(C)Cl)nc2cnccc21
InChIInChI=1S/C16H16ClN3O/c1-10-4-5-15(21-3)14(8-10)20-13-6-7-18-9-12(13)19-16(20)11(2)17/h4-9,11H,1-3H3
InChIKeyJCPWAJAVIRKJTI-UHFFFAOYSA-N
XLogP4.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.04
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-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine (CID 79273328) is 2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine is COc1ccc(C)cc1-n1c(C(C)Cl)nc2cnccc21.
What is the InChIKey of 2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine?
The InChIKey is JCPWAJAVIRKJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-10-4-5-15(21-3)14(8-10)20-13-6-7-18-9-12(13)19-16(20)11(2)17/h4-9,11H,1-3H3.
What are the key properties of 2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine?
2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine has a molecular weight of 301.78 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79273328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).