1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one

C11H15N3O — CID 62491832

IUPAC1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2cccc(N)c2)C1=O
InChIInChI=1S/C11H15N3O/c1-13-5-6-14(11(13)15)8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8,12H2,1H3
InChIKeyNPLSDELICWNZKA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.14
Rot. Bonds2

About 1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one

1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one (PubChem CID 62491832) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one
PubChem CID62491832
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2cccc(N)c2)C1=O
InChIInChI=1S/C11H15N3O/c1-13-5-6-14(11(13)15)8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8,12H2,1H3
InChIKeyNPLSDELICWNZKA-UHFFFAOYSA-N
XLogP1.14
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]benzonitrile
CID 62490477
5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295104
3-[3-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76944834
1-[(4-amino-2-bromophenyl)methyl]-3-methylimidazolidin-2-one
CID 62490636
1-[(3-aminophenyl)methyl]-1,3-diazinane-2,4-dione
CID 74849531
4-[(3-aminophenyl)methyl]morpholin-3-one
CID 79468791
N-(3-aminophenyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)butanamide
CID 62490976
1-[(3-aminophenyl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510947
1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one
CID 62490122
3-(azepan-1-ylmethyl)aniline
CID 6484183
1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one
CID 115512911
1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one
CID 59011747

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one (CID 62491832) is 1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one is CN1CCN(Cc2cccc(N)c2)C1=O.
What is the InChIKey of 1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one?
The InChIKey is NPLSDELICWNZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-13-5-6-14(11(13)15)8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8,12H2,1H3.
What are the key properties of 1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one?
1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 62491832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).