4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile

C18H16N4O3 — CID 53241406

IUPAC4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile
SMILESCC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)cc3C)nc2)C1=O
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/h4-8,10,14H,3H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyXGZOSQSLPNVOTE-CQSZACIVSA-N
MW336.35 g/mol
LogP2.89
Rot. Bonds4

About 4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile

4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile (PubChem CID 53241406) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile
PubChem CID53241406
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile
SMILESCC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)cc3C)nc2)C1=O
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/h4-8,10,14H,3H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyXGZOSQSLPNVOTE-CQSZACIVSA-N
XLogP2.89
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile?
The IUPAC name of 4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile (CID 53241406) is 4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile.
What is the SMILES notation for 4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile?
The canonical SMILES for 4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile is CC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)cc3C)nc2)C1=O.
What is the InChIKey of 4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile?
The InChIKey is XGZOSQSLPNVOTE-CQSZACIVSA-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/h4-8,10,14H,3H2,1-2H3,(H,21,24)/t14-/m1/s1.
What are the key properties of 4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile?
4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile has a molecular weight of 336.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile is sourced from PubChem (CID 53241406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).