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

C17H12BrN3O — CID 71625475

IUPAC(E)-1-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-prop-2-ynoxymethanimine
SMILESC#CCO/N=C/c1c(-c2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C17H12BrN3O/c1-2-10-22-19-11-15-17(13-6-4-3-5-7-13)20-16-9-8-14(18)12-21(15)16/h1,3-9,11-12H,10H2/b19-11+
InChIKeyGCHAROLCJFDQDR-YBFXNURJSA-N
MW354.21 g/mol
LogP3.75
Rot. Bonds4

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

(E)-1-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-prop-2-ynoxymethanimine (PubChem CID 71625475) has the molecular formula C17H12BrN3O and a molecular weight of 354.21 g/mol. Its IUPAC name is (E)-1-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-prop-2-ynoxymethanimine.

Molecular Properties

Compound Name(E)-1-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-prop-2-ynoxymethanimine
PubChem CID71625475
Molecular FormulaC17H12BrN3O
Molecular Weight354.21 g/mol
Exact Mass353.02
IUPAC Name(E)-1-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-prop-2-ynoxymethanimine
SMILESC#CCO/N=C/c1c(-c2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C17H12BrN3O/c1-2-10-22-19-11-15-17(13-6-4-3-5-7-13)20-16-9-8-14(18)12-21(15)16/h1,3-9,11-12H,10H2/b19-11+
InChIKeyGCHAROLCJFDQDR-YBFXNURJSA-N
XLogP3.75
TPSA38.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 53.75
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-phenylimidazo[1,2-a]pyridin-3-yl)-N-prop-2-ynoxymethanimine?
The IUPAC name of (E)-1-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-prop-2-ynoxymethanimine (CID 71625475) is (E)-1-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-prop-2-ynoxymethanimine.
What is the SMILES notation for (E)-1-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-prop-2-ynoxymethanimine?
The canonical SMILES for (E)-1-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-prop-2-ynoxymethanimine is C#CCO/N=C/c1c(-c2ccccc2)nc2ccc(Br)cn12.
What is the InChIKey of (E)-1-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-prop-2-ynoxymethanimine?
The InChIKey is GCHAROLCJFDQDR-YBFXNURJSA-N. The full InChI is InChI=1S/C17H12BrN3O/c1-2-10-22-19-11-15-17(13-6-4-3-5-7-13)20-16-9-8-14(18)12-21(15)16/h1,3-9,11-12H,10H2/b19-11+.
What are the key properties of (E)-1-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-prop-2-ynoxymethanimine?
(E)-1-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-prop-2-ynoxymethanimine has a molecular weight of 354.21 g/mol, XLogP of 3.75, 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-phenylimidazo[1,2-a]pyridin-3-yl)-N-prop-2-ynoxymethanimine is sourced from PubChem (CID 71625475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).