3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine

C20H21ClN2O — CID 82029806

IUPAC3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine
SMILESC=C(C)COc1ccc(-c2nc3cccc(C)n3c2C(C)Cl)cc1
InChIInChI=1S/C20H21ClN2O/c1-13(2)12-24-17-10-8-16(9-11-17)19-20(15(4)21)23-14(3)6-5-7-18(23)22-19/h5-11,15H,1,12H2,2-4H3
InChIKeyOMLOBGXNRIMPLC-UHFFFAOYSA-N
MW340.85 g/mol
LogP5.56
Rot. Bonds5

About 3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine

3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine (PubChem CID 82029806) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine
PubChem CID82029806
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine
SMILESC=C(C)COc1ccc(-c2nc3cccc(C)n3c2C(C)Cl)cc1
InChIInChI=1S/C20H21ClN2O/c1-13(2)12-24-17-10-8-16(9-11-17)19-20(15(4)21)23-14(3)6-5-7-18(23)22-19/h5-11,15H,1,12H2,2-4H3
InChIKeyOMLOBGXNRIMPLC-UHFFFAOYSA-N
XLogP5.56
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.85
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide
CID 82030178
[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199340
[6-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 39125924
1-(5-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 82029690
3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
CID 39126201
2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127587
3-[5-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 82035083
3,7-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 93206543
3,8-dimethyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridin-6-amine
CID 94823737
[2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197000
2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 92914402
[6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196762

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine (CID 82029806) is 3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine is C=C(C)COc1ccc(-c2nc3cccc(C)n3c2C(C)Cl)cc1.
What is the InChIKey of 3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is OMLOBGXNRIMPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-13(2)12-24-17-10-8-16(9-11-17)19-20(15(4)21)23-14(3)6-5-7-18(23)22-19/h5-11,15H,1,12H2,2-4H3.
What are the key properties of 3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine?
3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 340.85 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 82029806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).