1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one

C12H16BrN3O — CID 28572437

IUPAC1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one
SMILESCc1cc(Br)ccc1NCCN1CCNC1=O
InChIInChI=1S/C12H16BrN3O/c1-9-8-10(13)2-3-11(9)14-4-6-16-7-5-15-12(16)17/h2-3,8,14H,4-7H2,1H3,(H,15,17)
InChIKeyHLSAKVKKDCREEA-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.19
Rot. Bonds4

About 1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one

1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one (PubChem CID 28572437) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one
PubChem CID28572437
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one
SMILESCc1cc(Br)ccc1NCCN1CCNC1=O
InChIInChI=1S/C12H16BrN3O/c1-9-8-10(13)2-3-11(9)14-4-6-16-7-5-15-12(16)17/h2-3,8,14H,4-7H2,1H3,(H,15,17)
InChIKeyHLSAKVKKDCREEA-UHFFFAOYSA-N
XLogP2.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one
CID 62873354
1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one
CID 81271578
1-[2-(2,5-difluoroanilino)ethyl]imidazolidin-2-one
CID 28574585
3-chloro-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile
CID 107807856
1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one
CID 28535952
1-(2-anilinoethyl)imidazolidin-2-one
CID 28565231
1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one
CID 62809560
1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one
CID 63037530
1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one
CID 28580726
N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide
CID 28579397
1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one
CID 107599493
1-[2-(2-bromo-4,6-difluoroanilino)ethyl]imidazolidin-2-one
CID 43347754

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one (CID 28572437) is 1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one is Cc1cc(Br)ccc1NCCN1CCNC1=O.
What is the InChIKey of 1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one?
The InChIKey is HLSAKVKKDCREEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-9-8-10(13)2-3-11(9)14-4-6-16-7-5-15-12(16)17/h2-3,8,14H,4-7H2,1H3,(H,15,17).
What are the key properties of 1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one?
1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one has a molecular weight of 298.18 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 28572437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).