1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one

C17H19N3O — CID 43696493

IUPAC1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one
SMILESCc1cccc(CNc2cccc(N3CCNC3=O)c2)c1
InChIInChI=1S/C17H19N3O/c1-13-4-2-5-14(10-13)12-19-15-6-3-7-16(11-15)20-9-8-18-17(20)21/h2-7,10-11,19H,8-9,12H2,1H3,(H,18,21)
InChIKeyHAMGYSGHQVNRRH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.14
Rot. Bonds4

About 1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one

1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one (PubChem CID 43696493) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one
PubChem CID43696493
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one
SMILESCc1cccc(CNc2cccc(N3CCNC3=O)c2)c1
InChIInChI=1S/C17H19N3O/c1-13-4-2-5-14(10-13)12-19-15-6-3-7-16(11-15)20-9-8-18-17(20)21/h2-7,10-11,19H,8-9,12H2,1H3,(H,18,21)
InChIKeyHAMGYSGHQVNRRH-UHFFFAOYSA-N
XLogP3.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one
CID 43696383
1-[4-[(3-hydroxyphenyl)methylamino]phenyl]imidazolidin-2-one
CID 43724858
1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one
CID 62761809
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 63679045
1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one
CID 81401096
1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one
CID 104878813
5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115743185
4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110874022
2-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110874034
1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55797540
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one (CID 43696493) is 1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one is Cc1cccc(CNc2cccc(N3CCNC3=O)c2)c1.
What is the InChIKey of 1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one?
The InChIKey is HAMGYSGHQVNRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-4-2-5-14(10-13)12-19-15-6-3-7-16(11-15)20-9-8-18-17(20)21/h2-7,10-11,19H,8-9,12H2,1H3,(H,18,21).
What are the key properties of 1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one?
1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one is sourced from PubChem (CID 43696493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).