(E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine

C18H14BrN3O — CID 71625477

IUPAC(E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine
SMILESC#CCO/N=C/c1c(-c2ccc(C)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C18H14BrN3O/c1-3-10-23-20-11-16-18(14-6-4-13(2)5-7-14)21-17-9-8-15(19)12-22(16)17/h1,4-9,11-12H,10H2,2H3/b20-11+
InChIKeyGAONQRQGGLANOR-RGVLZGJSSA-N
MW368.23 g/mol
LogP4.06
Rot. Bonds4

About (E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine

(E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine (PubChem CID 71625477) has the molecular formula C18H14BrN3O and a molecular weight of 368.23 g/mol. Its IUPAC name is (E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine.

Molecular Properties

Compound Name(E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine
PubChem CID71625477
Molecular FormulaC18H14BrN3O
Molecular Weight368.23 g/mol
Exact Mass367.03
IUPAC Name(E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine
SMILESC#CCO/N=C/c1c(-c2ccc(C)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C18H14BrN3O/c1-3-10-23-20-11-16-18(14-6-4-13(2)5-7-14)21-17-9-8-15(19)12-22(16)17/h1,4-9,11-12H,10H2,2H3/b20-11+
InChIKeyGAONQRQGGLANOR-RGVLZGJSSA-N
XLogP4.06
TPSA38.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine?
The IUPAC name of (E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine (CID 71625477) is (E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine.
What is the SMILES notation for (E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine?
The canonical SMILES for (E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine is C#CCO/N=C/c1c(-c2ccc(C)cc2)nc2ccc(Br)cn12.
What is the InChIKey of (E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine?
The InChIKey is GAONQRQGGLANOR-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H14BrN3O/c1-3-10-23-20-11-16-18(14-6-4-13(2)5-7-14)21-17-9-8-15(19)12-22(16)17/h1,4-9,11-12H,10H2,2H3/b20-11+.
What are the key properties of (E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine?
(E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine has a molecular weight of 368.23 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-ynoxymethanimine is sourced from PubChem (CID 71625477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).