3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine

C18H19ClN2 — CID 39126201

IUPAC3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
SMILESCc1cccc2nc(-c3ccc(C(C)C)cc3)c(CCl)n12
InChIInChI=1S/C18H19ClN2/c1-12(2)14-7-9-15(10-8-14)18-16(11-19)21-13(3)5-4-6-17(21)20-18/h4-10,12H,11H2,1-3H3
InChIKeyQBTBRLVOMSXRAD-UHFFFAOYSA-N
MW298.82 g/mol
LogP5.17
Rot. Bonds3

About 3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine

3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine (PubChem CID 39126201) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
PubChem CID39126201
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
SMILESCc1cccc2nc(-c3ccc(C(C)C)cc3)c(CCl)n12
InChIInChI=1S/C18H19ClN2/c1-12(2)14-7-9-15(10-8-14)18-16(11-19)21-13(3)5-4-6-17(21)20-18/h4-10,12H,11H2,1-3H3
InChIKeyQBTBRLVOMSXRAD-UHFFFAOYSA-N
XLogP5.17
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.82
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,4-dichlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199318
2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127587
[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199340
[5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199222
[5-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 82342842
N-benzyl-2-(4-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 808678
3-[5-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 82035083
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
2-(3-bromo-4-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 83240952
2-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 7338705
3-(1-chloroethyl)-5-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]imidazo[1,2-a]pyridine
CID 82029806
5-methyl-N,2-bis(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 3515709

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine (CID 39126201) is 3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine is Cc1cccc2nc(-c3ccc(C(C)C)cc3)c(CCl)n12.
What is the InChIKey of 3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is QBTBRLVOMSXRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-12(2)14-7-9-15(10-8-14)18-16(11-19)21-13(3)5-4-6-17(21)20-18/h4-10,12H,11H2,1-3H3.
What are the key properties of 3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine?
3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 298.82 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 39126201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).