2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol

C12H13Br2N3O — CID 107740789

IUPAC2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
SMILESCn1ccnc1CNCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C12H13Br2N3O/c1-17-3-2-16-11(17)7-15-6-8-4-9(13)12(18)10(14)5-8/h2-5,15,18H,6-7H2,1H3
InChIKeyXLVNPRTYNNPDRH-UHFFFAOYSA-N
MW375.06 g/mol
LogP2.94
Rot. Bonds4

About 2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol

2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol (PubChem CID 107740789) has the molecular formula C12H13Br2N3O and a molecular weight of 375.06 g/mol. Its IUPAC name is 2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
PubChem CID107740789
Molecular FormulaC12H13Br2N3O
Molecular Weight375.06 g/mol
Exact Mass372.94
IUPAC Name2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
SMILESCn1ccnc1CNCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C12H13Br2N3O/c1-17-3-2-16-11(17)7-15-6-8-4-9(13)12(18)10(14)5-8/h2-5,15,18H,6-7H2,1H3
InChIKeyXLVNPRTYNNPDRH-UHFFFAOYSA-N
XLogP2.94
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.06
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-methoxy-4-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]phenol
CID 61214585
1-(4-bromo-3-methylphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 66472439
1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 107342350
1-(4-bromo-3-nitrophenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 55168277
1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 102835699
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 106263450
1-cyclopenta-1,4-dien-1-yl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 91928163
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
N-[(3-bromo-4-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 83235355
N-[[3-bromo-4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl]ethanamine
CID 102770892
2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295776
N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine
CID 113263576

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol (CID 107740789) is 2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol is Cn1ccnc1CNCc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol?
The InChIKey is XLVNPRTYNNPDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3O/c1-17-3-2-16-11(17)7-15-6-8-4-9(13)12(18)10(14)5-8/h2-5,15,18H,6-7H2,1H3.
What are the key properties of 2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol?
2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol has a molecular weight of 375.06 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol is sourced from PubChem (CID 107740789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).