5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine

C13H15BrFN3 — CID 82973719

IUPAC5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2cc(Br)ccc2F)CN=C(N)N1C1CC1
InChIInChI=1S/C13H15BrFN3/c1-13(10-6-8(14)2-5-11(10)15)7-17-12(16)18(13)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H2,16,17)
InChIKeyQIOZRTNATPMYAH-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.60
Rot. Bonds2

About 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine

5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine (PubChem CID 82973719) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine
PubChem CID82973719
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC Name5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2cc(Br)ccc2F)CN=C(N)N1C1CC1
InChIInChI=1S/C13H15BrFN3/c1-13(10-6-8(14)2-5-11(10)15)7-17-12(16)18(13)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H2,16,17)
InChIKeyQIOZRTNATPMYAH-UHFFFAOYSA-N
XLogP2.60
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine (CID 82973719) is 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine is CC1(c2cc(Br)ccc2F)CN=C(N)N1C1CC1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine?
The InChIKey is QIOZRTNATPMYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c1-13(10-6-8(14)2-5-11(10)15)7-17-12(16)18(13)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H2,16,17).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine?
5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine has a molecular weight of 312.19 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 82973719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).