[3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol

C12H12Br2N2O2 — CID 107739065

IUPAC[3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol
SMILESCn1ccnc1COc1c(Br)cc(CO)cc1Br
InChIInChI=1S/C12H12Br2N2O2/c1-16-3-2-15-11(16)7-18-12-9(13)4-8(6-17)5-10(12)14/h2-5,17H,6-7H2,1H3
InChIKeyFYPGKFWRCRKGRE-UHFFFAOYSA-N
MW376.05 g/mol
LogP3.02
Rot. Bonds4

About [3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol

[3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol (PubChem CID 107739065) has the molecular formula C12H12Br2N2O2 and a molecular weight of 376.05 g/mol. Its IUPAC name is [3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol
PubChem CID107739065
Molecular FormulaC12H12Br2N2O2
Molecular Weight376.05 g/mol
Exact Mass373.93
IUPAC Name[3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol
SMILESCn1ccnc1COc1c(Br)cc(CO)cc1Br
InChIInChI=1S/C12H12Br2N2O2/c1-16-3-2-15-11(16)7-18-12-9(13)4-8(6-17)5-10(12)14/h2-5,17H,6-7H2,1H3
InChIKeyFYPGKFWRCRKGRE-UHFFFAOYSA-N
XLogP3.02
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.05
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol with MolForge

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Related Compounds

[3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol
CID 107739141
(3,5-dibromo-4-butoxyphenyl)methanol
CID 107738793
[4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol
CID 43326894
[3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528334
2-[2-[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]ethyl]-1-methylimidazole
CID 114528447
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528456
2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole
CID 82561964
2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
CID 107740789
2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
CID 42962680
[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528359
[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 107739097
ethanol;1-methyl-2-[[6,13,20-trimethoxy-12,19-bis[(1-methylimidazol-2-yl)methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]imidazole
CID 139144903

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol?
The IUPAC name of [3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol (CID 107739065) is [3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol is Cn1ccnc1COc1c(Br)cc(CO)cc1Br.
What is the InChIKey of [3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol?
The InChIKey is FYPGKFWRCRKGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O2/c1-16-3-2-15-11(16)7-18-12-9(13)4-8(6-17)5-10(12)14/h2-5,17H,6-7H2,1H3.
What are the key properties of [3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol?
[3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol has a molecular weight of 376.05 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 107739065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).