1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one

C12H17N3O — CID 116981908

IUPAC1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one
SMILESCC1CN(c2cccc(CN)c2)C(=O)N1C
InChIInChI=1S/C12H17N3O/c1-9-8-15(12(16)14(9)2)11-5-3-4-10(6-11)7-13/h3-6,9H,7-8,13H2,1-2H3
InChIKeyIOHCLPWYRFTYDO-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.41
Rot. Bonds2

About 1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one

1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one (PubChem CID 116981908) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one
PubChem CID116981908
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one
SMILESCC1CN(c2cccc(CN)c2)C(=O)N1C
InChIInChI=1S/C12H17N3O/c1-9-8-15(12(16)14(9)2)11-5-3-4-10(6-11)7-13/h3-6,9H,7-8,13H2,1-2H3
InChIKeyIOHCLPWYRFTYDO-UHFFFAOYSA-N
XLogP1.41
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one (CID 116981908) is 1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one is CC1CN(c2cccc(CN)c2)C(=O)N1C.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one?
The InChIKey is IOHCLPWYRFTYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-8-15(12(16)14(9)2)11-5-3-4-10(6-11)7-13/h3-6,9H,7-8,13H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one?
1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 116981908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).