1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one

C13H17N3O — CID 80579479

IUPAC1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(Cc2cccc(CN)c2)c1=O
InChIInChI=1S/C13H17N3O/c1-2-15-6-7-16(13(15)17)10-12-5-3-4-11(8-12)9-14/h3-8H,2,9-10,14H2,1H3
InChIKeyRTOYGNDADLSLLS-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.18
Rot. Bonds4

About 1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one

1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one (PubChem CID 80579479) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one
PubChem CID80579479
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(Cc2cccc(CN)c2)c1=O
InChIInChI=1S/C13H17N3O/c1-2-15-6-7-16(13(15)17)10-12-5-3-4-11(8-12)9-14/h3-8H,2,9-10,14H2,1H3
InChIKeyRTOYGNDADLSLLS-UHFFFAOYSA-N
XLogP1.18
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethyl-2-oxoimidazol-1-yl)methyl]benzoic acid
CID 80579232
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one
CID 63172505
ethyl 1-[[3-(aminomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 71537102
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-ethylimidazol-2-one
CID 80579438
3-[(2-oxo-3-propylimidazol-1-yl)methyl]benzoic acid
CID 80579769
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62940139
3-[[3-[(3-carbamimidoylphenyl)methyl]-2-oxoimidazol-1-yl]methyl]benzenecarboximidamide
CID 19689343
1-[(3-aminophenyl)methyl]-3-propan-2-ylimidazol-2-one
CID 80579355
1-[(6-chloro-2-pyridinyl)methyl]-3-ethylimidazol-2-one
CID 80581694
[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine
CID 62350541
1-[3-[3-(aminomethyl)phenoxy]propyl]-3-propylimidazol-2-one
CID 80579823

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one?
The IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one (CID 80579479) is 1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one.
What is the SMILES notation for 1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one?
The canonical SMILES for 1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one is CCn1ccn(Cc2cccc(CN)c2)c1=O.
What is the InChIKey of 1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one?
The InChIKey is RTOYGNDADLSLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-15-6-7-16(13(15)17)10-12-5-3-4-11(8-12)9-14/h3-8H,2,9-10,14H2,1H3.
What are the key properties of 1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one?
1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(aminomethyl)phenyl]methyl]-3-ethylimidazol-2-one is sourced from PubChem (CID 80579479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).