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

C16H15BrFN3 — CID 79498980

IUPAC5-(2-bromophenyl)-1-(4-fluorophenyl)-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccccc2Br)CN=C(N)N1c1ccc(F)cc1
InChIInChI=1S/C16H15BrFN3/c1-16(13-4-2-3-5-14(13)17)10-20-15(19)21(16)12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H2,19,20)
InChIKeyTUNAQPSHPVYYBC-UHFFFAOYSA-N
MW348.22 g/mol
LogP3.64
Rot. Bonds2

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

5-(2-bromophenyl)-1-(4-fluorophenyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79498980) has the molecular formula C16H15BrFN3 and a molecular weight of 348.22 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1-(4-fluorophenyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2-bromophenyl)-1-(4-fluorophenyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79498980
Molecular FormulaC16H15BrFN3
Molecular Weight348.22 g/mol
Exact Mass347.04
IUPAC Name5-(2-bromophenyl)-1-(4-fluorophenyl)-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccccc2Br)CN=C(N)N1c1ccc(F)cc1
InChIInChI=1S/C16H15BrFN3/c1-16(13-4-2-3-5-14(13)17)10-20-15(19)21(16)12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H2,19,20)
InChIKeyTUNAQPSHPVYYBC-UHFFFAOYSA-N
XLogP3.64
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1-(4-fluorophenyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(2-bromophenyl)-1-(4-fluorophenyl)-5-methyl-4H-imidazol-2-amine (CID 79498980) is 5-(2-bromophenyl)-1-(4-fluorophenyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(2-bromophenyl)-1-(4-fluorophenyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(2-bromophenyl)-1-(4-fluorophenyl)-5-methyl-4H-imidazol-2-amine is CC1(c2ccccc2Br)CN=C(N)N1c1ccc(F)cc1.
What is the InChIKey of 5-(2-bromophenyl)-1-(4-fluorophenyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is TUNAQPSHPVYYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3/c1-16(13-4-2-3-5-14(13)17)10-20-15(19)21(16)12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H2,19,20).
What are the key properties of 5-(2-bromophenyl)-1-(4-fluorophenyl)-5-methyl-4H-imidazol-2-amine?
5-(2-bromophenyl)-1-(4-fluorophenyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 348.22 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-1-(4-fluorophenyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79498980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).