[3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol

C12H12BrClN2O2 — CID 63051976

IUPAC[3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol
SMILESCn1c(Cl)cnc1COc1ccc(CO)cc1Br
InChIInChI=1S/C12H12BrClN2O2/c1-16-11(14)5-15-12(16)7-18-10-3-2-8(6-17)4-9(10)13/h2-5,17H,6-7H2,1H3
InChIKeyGFARXDSNQVEQID-UHFFFAOYSA-N
MW331.60 g/mol
LogP2.91
Rot. Bonds4

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

[3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol (PubChem CID 63051976) has the molecular formula C12H12BrClN2O2 and a molecular weight of 331.60 g/mol. Its IUPAC name is [3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol
PubChem CID63051976
Molecular FormulaC12H12BrClN2O2
Molecular Weight331.60 g/mol
Exact Mass329.98
IUPAC Name[3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol
SMILESCn1c(Cl)cnc1COc1ccc(CO)cc1Br
InChIInChI=1S/C12H12BrClN2O2/c1-16-11(14)5-15-12(16)7-18-10-3-2-8(6-17)4-9(10)13/h2-5,17H,6-7H2,1H3
InChIKeyGFARXDSNQVEQID-UHFFFAOYSA-N
XLogP2.91
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol
CID 43326941
[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanamine
CID 60878684
(1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 102949040
3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol
CID 43144116
4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid
CID 107689823
N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 60881637
2-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]pyridine
CID 64983187
(5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride
CID 47002541
N-[[5-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 60881433
1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881259
1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947322
4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxybenzaldehyde
CID 43217182

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol (CID 63051976) is [3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol is Cn1c(Cl)cnc1COc1ccc(CO)cc1Br.
What is the InChIKey of [3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol?
The InChIKey is GFARXDSNQVEQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O2/c1-16-11(14)5-15-12(16)7-18-10-3-2-8(6-17)4-9(10)13/h2-5,17H,6-7H2,1H3.
What are the key properties of [3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol?
[3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol has a molecular weight of 331.60 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 63051976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).