N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide

C21H16N4O2 — CID 39567819

IUPACN-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H16N4O2/c26-21(24-16-10-11-20(23-14-16)25-13-12-22-15-25)18-8-4-5-9-19(18)27-17-6-2-1-3-7-17/h1-15H,(H,24,26)
InChIKeySIBIQNJLKUYVFK-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.31
Rot. Bonds5

About N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide

N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide (PubChem CID 39567819) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide.

Molecular Properties

Compound NameN-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide
PubChem CID39567819
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H16N4O2/c26-21(24-16-10-11-20(23-14-16)25-13-12-22-15-25)18-8-4-5-9-19(18)27-17-6-2-1-3-7-17/h1-15H,(H,24,26)
InChIKeySIBIQNJLKUYVFK-UHFFFAOYSA-N
XLogP4.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide?
The IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide (CID 39567819) is N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide.
What is the SMILES notation for N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide?
The canonical SMILES for N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide is O=C(Nc1ccc(-n2ccnc2)nc1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide?
The InChIKey is SIBIQNJLKUYVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-21(24-16-10-11-20(23-14-16)25-13-12-22-15-25)18-8-4-5-9-19(18)27-17-6-2-1-3-7-17/h1-15H,(H,24,26).
What are the key properties of N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide?
N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide has a molecular weight of 356.39 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-yl-3-pyridinyl)-2-phenoxybenzamide is sourced from PubChem (CID 39567819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).