2-(4-bromo-2-methylphenyl)-1-methylimidazolidine

C11H15BrN2 — CID 163412379

IUPAC2-(4-bromo-2-methylphenyl)-1-methylimidazolidine
SMILESCc1cc(Br)ccc1C1NCCN1C
InChIInChI=1S/C11H15BrN2/c1-8-7-9(12)3-4-10(8)11-13-5-6-14(11)2/h3-4,7,11,13H,5-6H2,1-2H3
InChIKeyABOFWHVNECTXTL-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.29
Rot. Bonds1

About 2-(4-bromo-2-methylphenyl)-1-methylimidazolidine

2-(4-bromo-2-methylphenyl)-1-methylimidazolidine (PubChem CID 163412379) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-1-methylimidazolidine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-1-methylimidazolidine
PubChem CID163412379
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name2-(4-bromo-2-methylphenyl)-1-methylimidazolidine
SMILESCc1cc(Br)ccc1C1NCCN1C
InChIInChI=1S/C11H15BrN2/c1-8-7-9(12)3-4-10(8)11-13-5-6-14(11)2/h3-4,7,11,13H,5-6H2,1-2H3
InChIKeyABOFWHVNECTXTL-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-1-methylimidazolidine?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-1-methylimidazolidine (CID 163412379) is 2-(4-bromo-2-methylphenyl)-1-methylimidazolidine.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-1-methylimidazolidine?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-1-methylimidazolidine is Cc1cc(Br)ccc1C1NCCN1C.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-1-methylimidazolidine?
The InChIKey is ABOFWHVNECTXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-8-7-9(12)3-4-10(8)11-13-5-6-14(11)2/h3-4,7,11,13H,5-6H2,1-2H3.
What are the key properties of 2-(4-bromo-2-methylphenyl)-1-methylimidazolidine?
2-(4-bromo-2-methylphenyl)-1-methylimidazolidine has a molecular weight of 255.16 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-1-methylimidazolidine is sourced from PubChem (CID 163412379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).