1-[(4-amino-2-pyridinyl)methyl]-3-ethylimidazol-2-one

C11H14N4O — CID 80583164

IUPAC1-[(4-amino-2-pyridinyl)methyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(Cc2cc(N)ccn2)c1=O
InChIInChI=1S/C11H14N4O/c1-2-14-5-6-15(11(14)16)8-10-7-9(12)3-4-13-10/h3-7H,2,8H2,1H3,(H2,12,13)
InChIKeyJCMWBKDZLOGRDB-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.70
Rot. Bonds3

About 1-[(4-amino-2-pyridinyl)methyl]-3-ethylimidazol-2-one

1-[(4-amino-2-pyridinyl)methyl]-3-ethylimidazol-2-one (PubChem CID 80583164) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[(4-amino-2-pyridinyl)methyl]-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-[(4-amino-2-pyridinyl)methyl]-3-ethylimidazol-2-one
PubChem CID80583164
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-[(4-amino-2-pyridinyl)methyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(Cc2cc(N)ccn2)c1=O
InChIInChI=1S/C11H14N4O/c1-2-14-5-6-15(11(14)16)8-10-7-9(12)3-4-13-10/h3-7H,2,8H2,1H3,(H2,12,13)
InChIKeyJCMWBKDZLOGRDB-UHFFFAOYSA-N
XLogP0.70
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-pyridinyl)methyl]-3-ethylimidazol-2-one?
The IUPAC name of 1-[(4-amino-2-pyridinyl)methyl]-3-ethylimidazol-2-one (CID 80583164) is 1-[(4-amino-2-pyridinyl)methyl]-3-ethylimidazol-2-one.
What is the SMILES notation for 1-[(4-amino-2-pyridinyl)methyl]-3-ethylimidazol-2-one?
The canonical SMILES for 1-[(4-amino-2-pyridinyl)methyl]-3-ethylimidazol-2-one is CCn1ccn(Cc2cc(N)ccn2)c1=O.
What is the InChIKey of 1-[(4-amino-2-pyridinyl)methyl]-3-ethylimidazol-2-one?
The InChIKey is JCMWBKDZLOGRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-14-5-6-15(11(14)16)8-10-7-9(12)3-4-13-10/h3-7H,2,8H2,1H3,(H2,12,13).
What are the key properties of 1-[(4-amino-2-pyridinyl)methyl]-3-ethylimidazol-2-one?
1-[(4-amino-2-pyridinyl)methyl]-3-ethylimidazol-2-one has a molecular weight of 218.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-pyridinyl)methyl]-3-ethylimidazol-2-one is sourced from PubChem (CID 80583164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).