1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine

C12H11BrF3N3 — CID 55178437

IUPAC1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2ccc(Br)cc2C(F)(F)F)[nH]1
InChIInChI=1S/C12H11BrF3N3/c1-17-5-8-6-18-11(19-8)9-3-2-7(13)4-10(9)12(14,15)16/h2-4,6,17H,5H2,1H3,(H,18,19)
InChIKeyFBKUCNBLXNDOBK-UHFFFAOYSA-N
MW334.14 g/mol
LogP3.58
Rot. Bonds3

About 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine

1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine (PubChem CID 55178437) has the molecular formula C12H11BrF3N3 and a molecular weight of 334.14 g/mol. Its IUPAC name is 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine
PubChem CID55178437
Molecular FormulaC12H11BrF3N3
Molecular Weight334.14 g/mol
Exact Mass333.01
IUPAC Name1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2ccc(Br)cc2C(F)(F)F)[nH]1
InChIInChI=1S/C12H11BrF3N3/c1-17-5-8-6-18-11(19-8)9-3-2-7(13)4-10(9)12(14,15)16/h2-4,6,17H,5H2,1H3,(H,18,19)
InChIKeyFBKUCNBLXNDOBK-UHFFFAOYSA-N
XLogP3.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine (CID 55178437) is 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine is CNCc1cnc(-c2ccc(Br)cc2C(F)(F)F)[nH]1.
What is the InChIKey of 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine?
The InChIKey is FBKUCNBLXNDOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3N3/c1-17-5-8-6-18-11(19-8)9-3-2-7(13)4-10(9)12(14,15)16/h2-4,6,17H,5H2,1H3,(H,18,19).
What are the key properties of 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine?
1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine has a molecular weight of 334.14 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 55178437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).