4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile

C18H16N4O3 — CID 123402362

IUPAC4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile
SMILESCCc1[nH]c(=O)n(-c2ccc(Oc3ccc(C#N)cc3C)nc2)c1O
InChIInChI=1S/C18H16N4O3/c1-3-14-17(23)22(18(24)21-14)13-5-7-16(20-10-13)25-15-6-4-12(9-19)8-11(15)2/h4-8,10,23H,3H2,1-2H3,(H,21,24)
InChIKeyLTQKUHCOROZSHR-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.80
Rot. Bonds4

About 4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile

4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile (PubChem CID 123402362) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile
PubChem CID123402362
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile
SMILESCCc1[nH]c(=O)n(-c2ccc(Oc3ccc(C#N)cc3C)nc2)c1O
InChIInChI=1S/C18H16N4O3/c1-3-14-17(23)22(18(24)21-14)13-5-7-16(20-10-13)25-15-6-4-12(9-19)8-11(15)2/h4-8,10,23H,3H2,1-2H3,(H,21,24)
InChIKeyLTQKUHCOROZSHR-UHFFFAOYSA-N
XLogP2.80
TPSA103.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile with MolForge

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Related Compounds

3-methyl-4-[[5-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-2-pyridinyl]oxy]benzonitrile
CID 156895849
4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile
CID 53241406
4-[5-(4-ethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-3-methylbenzonitrile
CID 75987264
3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile
CID 53241113
3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61396265
6-(2,5-dimethylphenoxy)pyridine-3-carbonitrile
CID 24698854
4-(2-ethylphenoxy)-3-methylbenzonitrile
CID 63513090
4-[[5-(chloromethyl)-2-pyridinyl]oxy]-3-methoxybenzonitrile
CID 80628683
ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate
CID 31536724
6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide
CID 107655271
6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16792097
2-[2-(4-cyano-2-methylphenoxy)pyrimidin-5-yl]butanamide
CID 140839818

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile?
The IUPAC name of 4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile (CID 123402362) is 4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile.
What is the SMILES notation for 4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile?
The canonical SMILES for 4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile is CCc1[nH]c(=O)n(-c2ccc(Oc3ccc(C#N)cc3C)nc2)c1O.
What is the InChIKey of 4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile?
The InChIKey is LTQKUHCOROZSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-3-14-17(23)22(18(24)21-14)13-5-7-16(20-10-13)25-15-6-4-12(9-19)8-11(15)2/h4-8,10,23H,3H2,1-2H3,(H,21,24).
What are the key properties of 4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile?
4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile has a molecular weight of 336.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(5-ethyl-4-hydroxy-2-oxo-1H-imidazol-3-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile is sourced from PubChem (CID 123402362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).