4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol

C24H25BrN2O2 — CID 3120490

IUPAC4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol
SMILESCOc1cc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc(Br)c1O
InChIInChI=1S/C24H25BrN2O2/c1-16-4-8-19(9-5-16)26-12-13-27(20-10-6-17(2)7-11-20)24(26)18-14-21(25)23(28)22(15-18)29-3/h4-11,14-15,24,28H,12-13H2,1-3H3
InChIKeyHHRREXKIVSXJEM-UHFFFAOYSA-N
MW453.38 g/mol
LogP5.81
Rot. Bonds4

About 4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol

4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol (PubChem CID 3120490) has the molecular formula C24H25BrN2O2 and a molecular weight of 453.38 g/mol. Its IUPAC name is 4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol.

Molecular Properties

Compound Name4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol
PubChem CID3120490
Molecular FormulaC24H25BrN2O2
Molecular Weight453.38 g/mol
Exact Mass452.11
IUPAC Name4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol
SMILESCOc1cc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc(Br)c1O
InChIInChI=1S/C24H25BrN2O2/c1-16-4-8-19(9-5-16)26-12-13-27(20-10-6-17(2)7-11-20)24(26)18-14-21(25)23(28)22(15-18)29-3/h4-11,14-15,24,28H,12-13H2,1-3H3
InChIKeyHHRREXKIVSXJEM-UHFFFAOYSA-N
XLogP5.81
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.38
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]phenyl]-1,3-bis(4-methylphenyl)imidazolidine
CID 21231913
2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol
CID 131624338
2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol
CID 97288722
6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(carboxymethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 69128249
2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol
CID 131429410
methyl (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 981709
(6S,9S)-6-(3-bromo-4-hydroxy-5-methoxyphenyl)-9-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 1051073
2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol
CID 131429409
2-(6-bromo-1,3-benzodioxol-5-yl)-1,3-bis(4-methylphenyl)imidazolidine
CID 5298115
2-bromo-4-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]-6-methoxyphenol
CID 135676753
(4E,5R)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 98330652
2-bromo-4-fluoro-6-methoxyphenol
CID 58419882

Frequently Asked Questions

What is the IUPAC name of 4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol?
The IUPAC name of 4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol (CID 3120490) is 4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol.
What is the SMILES notation for 4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol?
The canonical SMILES for 4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol is COc1cc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc(Br)c1O.
What is the InChIKey of 4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol?
The InChIKey is HHRREXKIVSXJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O2/c1-16-4-8-19(9-5-16)26-12-13-27(20-10-6-17(2)7-11-20)24(26)18-14-21(25)23(28)22(15-18)29-3/h4-11,14-15,24,28H,12-13H2,1-3H3.
What are the key properties of 4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol?
4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol has a molecular weight of 453.38 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol is sourced from PubChem (CID 3120490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).