5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile

C14H14N4O2 — CID 138388750

IUPAC5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile
SMILES[H]/N=C1\NC(=O)N(C2CC2)C1c1ccc(OC)c(C#N)c1
InChIInChI=1S/C14H14N4O2/c1-20-11-5-2-8(6-9(11)7-15)12-13(16)17-14(19)18(12)10-3-4-10/h2,5-6,10,12H,3-4H2,1H3,(H2,16,17,19)
InChIKeyUUTBQCMIVPLCPG-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.77
Rot. Bonds3

About 5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile

5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile (PubChem CID 138388750) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile
PubChem CID138388750
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile
SMILES[H]/N=C1\NC(=O)N(C2CC2)C1c1ccc(OC)c(C#N)c1
InChIInChI=1S/C14H14N4O2/c1-20-11-5-2-8(6-9(11)7-15)12-13(16)17-14(19)18(12)10-3-4-10/h2,5-6,10,12H,3-4H2,1H3,(H2,16,17,19)
InChIKeyUUTBQCMIVPLCPG-UHFFFAOYSA-N
XLogP1.77
TPSA89.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile?
The IUPAC name of 5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile (CID 138388750) is 5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile.
What is the SMILES notation for 5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile?
The canonical SMILES for 5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile is [H]/N=C1\NC(=O)N(C2CC2)C1c1ccc(OC)c(C#N)c1.
What is the InChIKey of 5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile?
The InChIKey is UUTBQCMIVPLCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-20-11-5-2-8(6-9(11)7-15)12-13(16)17-14(19)18(12)10-3-4-10/h2,5-6,10,12H,3-4H2,1H3,(H2,16,17,19).
What are the key properties of 5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile?
5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile has a molecular weight of 270.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-5-imino-2-oxoimidazolidin-4-yl)-2-methoxybenzonitrile is sourced from PubChem (CID 138388750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).