1-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone

C12H12BrF3N2O — CID 690699

IUPAC1-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone
SMILESO=C(CC1(C(F)(F)F)NCCN1)c1ccc(Br)cc1
InChIInChI=1S/C12H12BrF3N2O/c13-9-3-1-8(2-4-9)10(19)7-11(12(14,15)16)17-5-6-18-11/h1-4,17-18H,5-7H2
InChIKeyKERINSLAOCWVDS-UHFFFAOYSA-N
MW337.14 g/mol
LogP2.47
Rot. Bonds3

About 1-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone

1-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone (PubChem CID 690699) has the molecular formula C12H12BrF3N2O and a molecular weight of 337.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone
PubChem CID690699
Molecular FormulaC12H12BrF3N2O
Molecular Weight337.14 g/mol
Exact Mass336.01
IUPAC Name1-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone
SMILESO=C(CC1(C(F)(F)F)NCCN1)c1ccc(Br)cc1
InChIInChI=1S/C12H12BrF3N2O/c13-9-3-1-8(2-4-9)10(19)7-11(12(14,15)16)17-5-6-18-11/h1-4,17-18H,5-7H2
InChIKeyKERINSLAOCWVDS-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.14
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone (CID 690699) is 1-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone is O=C(CC1(C(F)(F)F)NCCN1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone?
The InChIKey is KERINSLAOCWVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3N2O/c13-9-3-1-8(2-4-9)10(19)7-11(12(14,15)16)17-5-6-18-11/h1-4,17-18H,5-7H2.
What are the key properties of 1-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone?
1-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone has a molecular weight of 337.14 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazolidin-2-yl]ethanone is sourced from PubChem (CID 690699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).