3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride

C32H32Cl2N4O — CID 162000002

IUPAC3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CCl)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CO)cc1.Cl
InChIInChI=1S/C16H15ClN2.C16H16N2O.ClH/c1-11-3-6-13(7-4-11)16-14(9-17)19-10-12(2)5-8-15(19)18-16;1-11-3-6-13(7-4-11)16-14(10-19)18-9-12(2)5-8-15(18)17-16;/h3-8,10H,9H2,1-2H3;3-9,19H,10H2,1-2H3;1H
InChIKeyRNTJZJIGUOPLLT-UHFFFAOYSA-N
MW559.54 g/mol
LogP7.89
Rot. Bonds4

About 3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride

3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride (PubChem CID 162000002) has the molecular formula C32H32Cl2N4O and a molecular weight of 559.54 g/mol. Its IUPAC name is 3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
PubChem CID162000002
Molecular FormulaC32H32Cl2N4O
Molecular Weight559.54 g/mol
Exact Mass558.20
IUPAC Name3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CCl)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CO)cc1.Cl
InChIInChI=1S/C16H15ClN2.C16H16N2O.ClH/c1-11-3-6-13(7-4-11)16-14(9-17)19-10-12(2)5-8-15(19)18-16;1-11-3-6-13(7-4-11)16-14(10-19)18-9-12(2)5-8-15(18)17-16;/h3-8,10H,9H2,1-2H3;3-9,19H,10H2,1-2H3;1H
InChIKeyRNTJZJIGUOPLLT-UHFFFAOYSA-N
XLogP7.89
TPSA54.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.54
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride?
The IUPAC name of 3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride (CID 162000002) is 3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride.
What is the SMILES notation for 3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride?
The canonical SMILES for 3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride is Cc1ccc(-c2nc3ccc(C)cn3c2CCl)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CO)cc1.Cl.
What is the InChIKey of 3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride?
The InChIKey is RNTJZJIGUOPLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2.C16H16N2O.ClH/c1-11-3-6-13(7-4-11)16-14(9-17)19-10-12(2)5-8-15(19)18-16;1-11-3-6-13(7-4-11)16-14(10-19)18-9-12(2)5-8-15(18)17-16;/h3-8,10H,9H2,1-2H3;3-9,19H,10H2,1-2H3;1H.
What are the key properties of 3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride?
3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride has a molecular weight of 559.54 g/mol, XLogP of 7.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 162000002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).