6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine

C16H14Cl2N2O — CID 94963899

IUPAC6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2nc3ccc(Cl)cn3c2CCl)cc1
InChIInChI=1S/C16H14Cl2N2O/c1-21-13-5-2-11(3-6-13)8-14-15(9-17)20-10-12(18)4-7-16(20)19-14/h2-7,10H,8-9H2,1H3
InChIKeyFDLAGHHXTCLMCD-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.33
Rot. Bonds4

About 6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine

6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine (PubChem CID 94963899) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
PubChem CID94963899
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2nc3ccc(Cl)cn3c2CCl)cc1
InChIInChI=1S/C16H14Cl2N2O/c1-21-13-5-2-11(3-6-13)8-14-15(9-17)20-10-12(18)4-7-16(20)19-14/h2-7,10H,8-9H2,1H3
InChIKeyFDLAGHHXTCLMCD-UHFFFAOYSA-N
XLogP4.33
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.33
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

[6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 82223169
2-[6-chloro-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
CID 28912634
6-chloro-2-(chloromethyl)-3-propylimidazo[1,2-a]pyridine
CID 22335107
6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82530278
2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile
CID 82223229
6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
CID 39133106
6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 88901019
6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine
CID 46904877
[2-[(4-methoxyphenyl)methyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 82223247
6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67028658
6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023756
6-chloro-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine
CID 132838378

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine (CID 94963899) is 6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine is COc1ccc(Cc2nc3ccc(Cl)cn3c2CCl)cc1.
What is the InChIKey of 6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is FDLAGHHXTCLMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-21-13-5-2-11(3-6-13)8-14-15(9-17)20-10-12(18)4-7-16(20)19-14/h2-7,10H,8-9H2,1H3.
What are the key properties of 6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine?
6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 321.21 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 94963899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).