methyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate

C18H19N3O — CID 70030368

IUPACmethyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate
SMILES[H]/N=C(/Cc1c(-c2ccc(C)cc2)nc2cc(C)ccn12)OC
InChIInChI=1S/C18H19N3O/c1-12-4-6-14(7-5-12)18-15(11-16(19)22-3)21-9-8-13(2)10-17(21)20-18/h4-10,19H,11H2,1-3H3/b19-16-
InChIKeyOXPIFPVZUAIKEX-MNDPQUGUSA-N
MW293.37 g/mol
LogP3.78
Rot. Bonds3

About methyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate

methyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate (PubChem CID 70030368) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate.

Molecular Properties

Compound Namemethyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate
PubChem CID70030368
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Namemethyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate
SMILES[H]/N=C(/Cc1c(-c2ccc(C)cc2)nc2cc(C)ccn12)OC
InChIInChI=1S/C18H19N3O/c1-12-4-6-14(7-5-12)18-15(11-16(19)22-3)21-9-8-13(2)10-17(21)20-18/h4-10,19H,11H2,1-3H3/b19-16-
InChIKeyOXPIFPVZUAIKEX-MNDPQUGUSA-N
XLogP3.78
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine
CID 39133020
2-(4-bromophenyl)-3-ethyl-7-methylimidazo[1,2-a]pyridine
CID 100820877
ethyl N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]carbamate
CID 23938620
3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 82035102
2-[2-(1,3-benzodioxol-5-yl)-7-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39127953
[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199352
1-[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;hydrochloride
CID 126467593
2-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127665
1-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine
CID 39145993
1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 75537301
ethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
CID 170885569
7-methyl-2-(4-methylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 44726067

Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate?
The IUPAC name of methyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate (CID 70030368) is methyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate.
What is the SMILES notation for methyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate?
The canonical SMILES for methyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate is [H]/N=C(/Cc1c(-c2ccc(C)cc2)nc2cc(C)ccn12)OC.
What is the InChIKey of methyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate?
The InChIKey is OXPIFPVZUAIKEX-MNDPQUGUSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-4-6-14(7-5-12)18-15(11-16(19)22-3)21-9-8-13(2)10-17(21)20-18/h4-10,19H,11H2,1-3H3/b19-16-.
What are the key properties of methyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate?
methyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate has a molecular weight of 293.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanimidate is sourced from PubChem (CID 70030368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).