1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile

C11H10N4O — CID 82908033

IUPAC1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile
SMILESN#Cc1nccn1CCn1ccccc1=O
InChIInChI=1S/C11H10N4O/c12-9-10-13-4-6-14(10)7-8-15-5-2-1-3-11(15)16/h1-6H,7-8H2
InChIKeyKTGALMUHLQYZLU-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.62
Rot. Bonds3

About 1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile

1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile (PubChem CID 82908033) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile
PubChem CID82908033
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile
SMILESN#Cc1nccn1CCn1ccccc1=O
InChIInChI=1S/C11H10N4O/c12-9-10-13-4-6-14(10)7-8-15-5-2-1-3-11(15)16/h1-6H,7-8H2
InChIKeyKTGALMUHLQYZLU-UHFFFAOYSA-N
XLogP0.62
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile?
The IUPAC name of 1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile (CID 82908033) is 1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile.
What is the SMILES notation for 1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile?
The canonical SMILES for 1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile is N#Cc1nccn1CCn1ccccc1=O.
What is the InChIKey of 1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile?
The InChIKey is KTGALMUHLQYZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-9-10-13-4-6-14(10)7-8-15-5-2-1-3-11(15)16/h1-6H,7-8H2.
What are the key properties of 1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile?
1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile has a molecular weight of 214.23 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile is sourced from PubChem (CID 82908033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).