(E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile

C17H10N4O — CID 163359869

IUPAC(E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1cc2ccccc2o1)c1nc2ncccc2[nH]1
InChIInChI=1S/C17H10N4O/c18-10-12(16-20-14-5-3-7-19-17(14)21-16)9-13-8-11-4-1-2-6-15(11)22-13/h1-9H,(H,19,20,21)/b12-9+
InChIKeyYTYJWRPRIKRRHW-FMIVXFBMSA-N
MW286.29 g/mol
LogP3.77
Rot. Bonds2

About (E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile

(E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile (PubChem CID 163359869) has the molecular formula C17H10N4O and a molecular weight of 286.29 g/mol. Its IUPAC name is (E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile
PubChem CID163359869
Molecular FormulaC17H10N4O
Molecular Weight286.29 g/mol
Exact Mass286.09
IUPAC Name(E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1cc2ccccc2o1)c1nc2ncccc2[nH]1
InChIInChI=1S/C17H10N4O/c18-10-12(16-20-14-5-3-7-19-17(14)21-16)9-13-8-11-4-1-2-6-15(11)22-13/h1-9H,(H,19,20,21)/b12-9+
InChIKeyYTYJWRPRIKRRHW-FMIVXFBMSA-N
XLogP3.77
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile?
The IUPAC name of (E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile (CID 163359869) is (E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile is N#C/C(=C\c1cc2ccccc2o1)c1nc2ncccc2[nH]1.
What is the InChIKey of (E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile?
The InChIKey is YTYJWRPRIKRRHW-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H10N4O/c18-10-12(16-20-14-5-3-7-19-17(14)21-16)9-13-8-11-4-1-2-6-15(11)22-13/h1-9H,(H,19,20,21)/b12-9+.
What are the key properties of (E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile?
(E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile has a molecular weight of 286.29 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile is sourced from PubChem (CID 163359869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).