1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine

C19H22Br2N2 — CID 90442491

IUPAC1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3Br)C2)c(Br)c1
InChIInChI=1S/C19H22Br2N2/c1-12-7-14(3)18(16(20)9-12)22-5-6-23(11-22)19-15(4)8-13(2)10-17(19)21/h7-10H,5-6,11H2,1-4H3
InChIKeyFNLKLFKFBZFBAU-UHFFFAOYSA-N
MW438.21 g/mol
LogP5.73
Rot. Bonds2

About 1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine

1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine (PubChem CID 90442491) has the molecular formula C19H22Br2N2 and a molecular weight of 438.21 g/mol. Its IUPAC name is 1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine.

Molecular Properties

Compound Name1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine
PubChem CID90442491
Molecular FormulaC19H22Br2N2
Molecular Weight438.21 g/mol
Exact Mass436.01
IUPAC Name1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3Br)C2)c(Br)c1
InChIInChI=1S/C19H22Br2N2/c1-12-7-14(3)18(16(20)9-12)22-5-6-23(11-22)19-15(4)8-13(2)10-17(19)21/h7-10H,5-6,11H2,1-4H3
InChIKeyFNLKLFKFBZFBAU-UHFFFAOYSA-N
XLogP5.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.21
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine?
The IUPAC name of 1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine (CID 90442491) is 1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine.
What is the SMILES notation for 1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine?
The canonical SMILES for 1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine is Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3Br)C2)c(Br)c1.
What is the InChIKey of 1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine?
The InChIKey is FNLKLFKFBZFBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Br2N2/c1-12-7-14(3)18(16(20)9-12)22-5-6-23(11-22)19-15(4)8-13(2)10-17(19)21/h7-10H,5-6,11H2,1-4H3.
What are the key properties of 1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine?
1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine has a molecular weight of 438.21 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine is sourced from PubChem (CID 90442491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).