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

C12H12BrN3 — CID 65459361

IUPAC1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
SMILESNC1(c2ncc(-c3ccccc3Br)[nH]2)CC1
InChIInChI=1S/C12H12BrN3/c13-9-4-2-1-3-8(9)10-7-15-11(16-10)12(14)5-6-12/h1-4,7H,5-6,14H2,(H,15,16)
InChIKeyXCROBDVQAGTOAO-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.79
Rot. Bonds2

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

1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine (PubChem CID 65459361) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
PubChem CID65459361
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
SMILESNC1(c2ncc(-c3ccccc3Br)[nH]2)CC1
InChIInChI=1S/C12H12BrN3/c13-9-4-2-1-3-8(9)10-7-15-11(16-10)12(14)5-6-12/h1-4,7H,5-6,14H2,(H,15,16)
InChIKeyXCROBDVQAGTOAO-UHFFFAOYSA-N
XLogP2.79
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine (CID 65459361) is 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine is NC1(c2ncc(-c3ccccc3Br)[nH]2)CC1.
What is the InChIKey of 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The InChIKey is XCROBDVQAGTOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-9-4-2-1-3-8(9)10-7-15-11(16-10)12(14)5-6-12/h1-4,7H,5-6,14H2,(H,15,16).
What are the key properties of 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine has a molecular weight of 278.15 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 65459361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).