[5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol

C12H14BrN3O — CID 146106531

IUPAC[5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol
SMILESCc1ncc(CNc2ccc(Br)cc2CO)[nH]1
InChIInChI=1S/C12H14BrN3O/c1-8-14-5-11(16-8)6-15-12-3-2-10(13)4-9(12)7-17/h2-5,15,17H,6-7H2,1H3,(H,14,16)
InChIKeyRMUOPJAKIXKQOG-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.59
Rot. Bonds4

About [5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol

[5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol (PubChem CID 146106531) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is [5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol
PubChem CID146106531
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name[5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol
SMILESCc1ncc(CNc2ccc(Br)cc2CO)[nH]1
InChIInChI=1S/C12H14BrN3O/c1-8-14-5-11(16-8)6-15-12-3-2-10(13)4-9(12)7-17/h2-5,15,17H,6-7H2,1H3,(H,14,16)
InChIKeyRMUOPJAKIXKQOG-UHFFFAOYSA-N
XLogP2.59
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol?
The IUPAC name of [5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol (CID 146106531) is [5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol?
The canonical SMILES for [5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol is Cc1ncc(CNc2ccc(Br)cc2CO)[nH]1.
What is the InChIKey of [5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol?
The InChIKey is RMUOPJAKIXKQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-8-14-5-11(16-8)6-15-12-3-2-10(13)4-9(12)7-17/h2-5,15,17H,6-7H2,1H3,(H,14,16).
What are the key properties of [5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol?
[5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol has a molecular weight of 296.17 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 146106531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).