2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine

C21H17N3 — CID 10448178

IUPAC2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine
SMILESC(=C/c1ccccc1)\Cn1ccc2nc(-c3ccccc3)nc-2c1
InChIInChI=1S/C21H17N3/c1-3-8-17(9-4-1)10-7-14-24-15-13-19-20(16-24)23-21(22-19)18-11-5-2-6-12-18/h1-13,15-16H,14H2/b10-7+
InChIKeyCMBYUFBKSAFSJU-JXMROGBWSA-N
MW311.39 g/mol
LogP4.76
Rot. Bonds4

About 2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine

2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine (PubChem CID 10448178) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine
PubChem CID10448178
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine
SMILESC(=C/c1ccccc1)\Cn1ccc2nc(-c3ccccc3)nc-2c1
InChIInChI=1S/C21H17N3/c1-3-8-17(9-4-1)10-7-14-24-15-13-19-20(16-24)23-21(22-19)18-11-5-2-6-12-18/h1-13,15-16H,14H2/b10-7+
InChIKeyCMBYUFBKSAFSJU-JXMROGBWSA-N
XLogP4.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine (CID 10448178) is 2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine is C(=C/c1ccccc1)\Cn1ccc2nc(-c3ccccc3)nc-2c1.
What is the InChIKey of 2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine?
The InChIKey is CMBYUFBKSAFSJU-JXMROGBWSA-N. The full InChI is InChI=1S/C21H17N3/c1-3-8-17(9-4-1)10-7-14-24-15-13-19-20(16-24)23-21(22-19)18-11-5-2-6-12-18/h1-13,15-16H,14H2/b10-7+.
What are the key properties of 2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine?
2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine has a molecular weight of 311.39 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 10448178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).