[2-bromo-4-[2-(2,4-difluorophenyl)imidazol-1-yl]phenyl]methanamine

C16H12BrF2N3 — CID 155923482

IUPAC[2-bromo-4-[2-(2,4-difluorophenyl)imidazol-1-yl]phenyl]methanamine
SMILESNCc1ccc(-n2ccnc2-c2ccc(F)cc2F)cc1Br
InChIInChI=1S/C16H12BrF2N3/c17-14-8-12(3-1-10(14)9-20)22-6-5-21-16(22)13-4-2-11(18)7-15(13)19/h1-8H,9,20H2
InChIKeyFMPFKUYVQYMJOX-UHFFFAOYSA-N
MW364.19 g/mol
LogP4.04
Rot. Bonds3

About [2-bromo-4-[2-(2,4-difluorophenyl)imidazol-1-yl]phenyl]methanamine

[2-bromo-4-[2-(2,4-difluorophenyl)imidazol-1-yl]phenyl]methanamine (PubChem CID 155923482) has the molecular formula C16H12BrF2N3 and a molecular weight of 364.19 g/mol. Its IUPAC name is [2-bromo-4-[2-(2,4-difluorophenyl)imidazol-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-4-[2-(2,4-difluorophenyl)imidazol-1-yl]phenyl]methanamine
PubChem CID155923482
Molecular FormulaC16H12BrF2N3
Molecular Weight364.19 g/mol
Exact Mass363.02
IUPAC Name[2-bromo-4-[2-(2,4-difluorophenyl)imidazol-1-yl]phenyl]methanamine
SMILESNCc1ccc(-n2ccnc2-c2ccc(F)cc2F)cc1Br
InChIInChI=1S/C16H12BrF2N3/c17-14-8-12(3-1-10(14)9-20)22-6-5-21-16(22)13-4-2-11(18)7-15(13)19/h1-8H,9,20H2
InChIKeyFMPFKUYVQYMJOX-UHFFFAOYSA-N
XLogP4.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-[2-(2,4-difluorophenyl)imidazol-1-yl]phenyl]methanamine?
The IUPAC name of [2-bromo-4-[2-(2,4-difluorophenyl)imidazol-1-yl]phenyl]methanamine (CID 155923482) is [2-bromo-4-[2-(2,4-difluorophenyl)imidazol-1-yl]phenyl]methanamine.
What is the SMILES notation for [2-bromo-4-[2-(2,4-difluorophenyl)imidazol-1-yl]phenyl]methanamine?
The canonical SMILES for [2-bromo-4-[2-(2,4-difluorophenyl)imidazol-1-yl]phenyl]methanamine is NCc1ccc(-n2ccnc2-c2ccc(F)cc2F)cc1Br.
What is the InChIKey of [2-bromo-4-[2-(2,4-difluorophenyl)imidazol-1-yl]phenyl]methanamine?
The InChIKey is FMPFKUYVQYMJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF2N3/c17-14-8-12(3-1-10(14)9-20)22-6-5-21-16(22)13-4-2-11(18)7-15(13)19/h1-8H,9,20H2.
What are the key properties of [2-bromo-4-[2-(2,4-difluorophenyl)imidazol-1-yl]phenyl]methanamine?
[2-bromo-4-[2-(2,4-difluorophenyl)imidazol-1-yl]phenyl]methanamine has a molecular weight of 364.19 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-[2-(2,4-difluorophenyl)imidazol-1-yl]phenyl]methanamine is sourced from PubChem (CID 155923482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).