5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine

C12H14BrN3O — CID 71564770

IUPAC5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCn1c(-c2ccccc2Br)cnc1N
InChIInChI=1S/C12H14BrN3O/c1-17-7-6-16-11(8-15-12(16)14)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H2,14,15)
InChIKeySUGAQWVWXCFKJU-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.54
Rot. Bonds4

About 5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine

5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine (PubChem CID 71564770) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound Name5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine
PubChem CID71564770
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCn1c(-c2ccccc2Br)cnc1N
InChIInChI=1S/C12H14BrN3O/c1-17-7-6-16-11(8-15-12(16)14)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H2,14,15)
InChIKeySUGAQWVWXCFKJU-UHFFFAOYSA-N
XLogP2.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of 5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine (CID 71564770) is 5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for 5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for 5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine is COCCn1c(-c2ccccc2Br)cnc1N.
What is the InChIKey of 5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is SUGAQWVWXCFKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-17-7-6-16-11(8-15-12(16)14)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H2,14,15).
What are the key properties of 5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 296.17 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 71564770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).