3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

C19H21ClN2O — CID 82029854

IUPAC3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccn2c(C(C)Cl)c(-c3ccc(OC(C)C)cc3)nc2c1
InChIInChI=1S/C19H21ClN2O/c1-12(2)23-16-7-5-15(6-8-16)18-19(14(4)20)22-10-9-13(3)11-17(22)21-18/h5-12,14H,1-4H3
InChIKeyCUYMMMJCQUOMFF-UHFFFAOYSA-N
MW328.84 g/mol
LogP5.40
Rot. Bonds4

About 3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 82029854) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
PubChem CID82029854
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccn2c(C(C)Cl)c(-c3ccc(OC(C)C)cc3)nc2c1
InChIInChI=1S/C19H21ClN2O/c1-12(2)23-16-7-5-15(6-8-16)18-19(14(4)20)22-10-9-13(3)11-17(22)21-18/h5-12,14H,1-4H3
InChIKeyCUYMMMJCQUOMFF-UHFFFAOYSA-N
XLogP5.40
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.84
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195945
2-[2-(4-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanenitrile
CID 82030016
1-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029416
2-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 82030415
2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile
CID 82030006
2-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 82030409
(2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 93016859
1-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propan-1-ol
CID 82029619
1-[6-chloro-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029502
3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029817
3-chloro-2-(4-iodophenyl)-7-methylimidazo[1,2-a]pyridine
CID 148822779
2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide
CID 82030222

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (CID 82029854) is 3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is Cc1ccn2c(C(C)Cl)c(-c3ccc(OC(C)C)cc3)nc2c1.
What is the InChIKey of 3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is CUYMMMJCQUOMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-12(2)23-16-7-5-15(6-8-16)18-19(14(4)20)22-10-9-13(3)11-17(22)21-18/h5-12,14H,1-4H3.
What are the key properties of 3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 328.84 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 82029854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).