2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine

C12H14BrN3 — CID 65458906

IUPAC2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
SMILESCC(C)(N)c1ncc(-c2ccccc2Br)[nH]1
InChIInChI=1S/C12H14BrN3/c1-12(2,14)11-15-7-10(16-11)8-5-3-4-6-9(8)13/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyUTACTXQFAJUQGH-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.03
Rot. Bonds2

About 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine

2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine (PubChem CID 65458906) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
PubChem CID65458906
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
SMILESCC(C)(N)c1ncc(-c2ccccc2Br)[nH]1
InChIInChI=1S/C12H14BrN3/c1-12(2,14)11-15-7-10(16-11)8-5-3-4-6-9(8)13/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyUTACTXQFAJUQGH-UHFFFAOYSA-N
XLogP3.03
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine?
The IUPAC name of 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine (CID 65458906) is 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine?
The canonical SMILES for 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine is CC(C)(N)c1ncc(-c2ccccc2Br)[nH]1.
What is the InChIKey of 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine?
The InChIKey is UTACTXQFAJUQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-12(2,14)11-15-7-10(16-11)8-5-3-4-6-9(8)13/h3-7H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine?
2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine has a molecular weight of 280.17 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 65458906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).