3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one

C12H15N3O — CID 103124791

IUPAC3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one
SMILESCCNCc1ccccc1-n1cc[nH]c1=O
InChIInChI=1S/C12H15N3O/c1-2-13-9-10-5-3-4-6-11(10)15-8-7-14-12(15)16/h3-8,13H,2,9H2,1H3,(H,14,16)
InChIKeyYOMZZNBYTXPOLL-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.28
Rot. Bonds4

About 3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one

3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one (PubChem CID 103124791) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one
PubChem CID103124791
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one
SMILESCCNCc1ccccc1-n1cc[nH]c1=O
InChIInChI=1S/C12H15N3O/c1-2-13-9-10-5-3-4-6-11(10)15-8-7-14-12(15)16/h3-8,13H,2,9H2,1H3,(H,14,16)
InChIKeyYOMZZNBYTXPOLL-UHFFFAOYSA-N
XLogP1.28
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(hydroxymethyl)phenyl]-1H-imidazol-2-one
CID 84662478
4-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazol-5-one
CID 107410843
2-methyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid
CID 117367574
1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione
CID 61349411
3-[2-(2-piperazin-1-ylethyl)phenyl]-1H-imidazol-2-one
CID 117433949
4-[2-(ethylaminomethyl)phenyl]morpholine-3,5-dione
CID 61350180
N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine
CID 62267367
1-ethyl-3-(ethylaminomethyl)pyridin-2-one
CID 82527243
4-[2-(ethylaminomethyl)phenyl]piperazin-2-one
CID 43281159
2-(ethylaminomethyl)phenol
CID 12995218
N-[2-(ethylaminomethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 119440340
N-[(2-iodophenyl)methyl]ethanamine
CID 15639059

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one (CID 103124791) is 3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one is CCNCc1ccccc1-n1cc[nH]c1=O.
What is the InChIKey of 3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one?
The InChIKey is YOMZZNBYTXPOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-13-9-10-5-3-4-6-11(10)15-8-7-14-12(15)16/h3-8,13H,2,9H2,1H3,(H,14,16).
What are the key properties of 3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one?
3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylaminomethyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 103124791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).