1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine

C12H14BrN3 — CID 60843198

IUPAC1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1ncc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C12H14BrN3/c1-8(14)5-12-15-7-11(16-12)9-3-2-4-10(13)6-9/h2-4,6-8H,5,14H2,1H3,(H,15,16)
InChIKeyWBZUSSGCGYNENR-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.73
Rot. Bonds3

About 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine

1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine (PubChem CID 60843198) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
PubChem CID60843198
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1ncc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C12H14BrN3/c1-8(14)5-12-15-7-11(16-12)9-3-2-4-10(13)6-9/h2-4,6-8H,5,14H2,1H3,(H,15,16)
InChIKeyWBZUSSGCGYNENR-UHFFFAOYSA-N
XLogP2.73
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine?
The IUPAC name of 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine (CID 60843198) is 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine is CC(N)Cc1ncc(-c2cccc(Br)c2)[nH]1.
What is the InChIKey of 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine?
The InChIKey is WBZUSSGCGYNENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8(14)5-12-15-7-11(16-12)9-3-2-4-10(13)6-9/h2-4,6-8H,5,14H2,1H3,(H,15,16).
What are the key properties of 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine?
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine has a molecular weight of 280.17 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 60843198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).