1-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine

C12H11BrFN3 — CID 65457295

IUPAC1-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
SMILESNC1(c2ncc(-c3ccc(F)c(Br)c3)[nH]2)CC1
InChIInChI=1S/C12H11BrFN3/c13-8-5-7(1-2-9(8)14)10-6-16-11(17-10)12(15)3-4-12/h1-2,5-6H,3-4,15H2,(H,16,17)
InChIKeySQRACLNHFBKYLD-UHFFFAOYSA-N
MW296.14 g/mol
LogP2.93
Rot. Bonds2

About 1-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine

1-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine (PubChem CID 65457295) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 1-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
PubChem CID65457295
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name1-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
SMILESNC1(c2ncc(-c3ccc(F)c(Br)c3)[nH]2)CC1
InChIInChI=1S/C12H11BrFN3/c13-8-5-7(1-2-9(8)14)10-6-16-11(17-10)12(15)3-4-12/h1-2,5-6H,3-4,15H2,(H,16,17)
InChIKeySQRACLNHFBKYLD-UHFFFAOYSA-N
XLogP2.93
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine (CID 65457295) is 1-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine is NC1(c2ncc(-c3ccc(F)c(Br)c3)[nH]2)CC1.
What is the InChIKey of 1-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The InChIKey is SQRACLNHFBKYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c13-8-5-7(1-2-9(8)14)10-6-16-11(17-10)12(15)3-4-12/h1-2,5-6H,3-4,15H2,(H,16,17).
What are the key properties of 1-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
1-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine has a molecular weight of 296.14 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 65457295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).