5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile

C23H19N5O2 — CID 11639859

IUPAC5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1C#N
InChIInChI=1S/C23H19N5O2/c1-28-21(29)23(27-22(28)25,19-8-9-20(30-2)17(12-19)13-24)18-7-3-5-15(11-18)16-6-4-10-26-14-16/h3-12,14H,1-2H3,(H2,25,27)
InChIKeyOHTIBTGUVJBMTO-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.66
Rot. Bonds4

About 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile

5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile (PubChem CID 11639859) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile
PubChem CID11639859
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1C#N
InChIInChI=1S/C23H19N5O2/c1-28-21(29)23(27-22(28)25,19-8-9-20(30-2)17(12-19)13-24)18-7-3-5-15(11-18)16-6-4-10-26-14-16/h3-12,14H,1-2H3,(H2,25,27)
InChIKeyOHTIBTGUVJBMTO-UHFFFAOYSA-N
XLogP2.66
TPSA104.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile?
The IUPAC name of 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile (CID 11639859) is 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile is COc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1C#N.
What is the InChIKey of 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile?
The InChIKey is OHTIBTGUVJBMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-28-21(29)23(27-22(28)25,19-8-9-20(30-2)17(12-19)13-24)18-7-3-5-15(11-18)16-6-4-10-26-14-16/h3-12,14H,1-2H3,(H2,25,27).
What are the key properties of 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile?
5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile has a molecular weight of 397.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile is sourced from PubChem (CID 11639859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).