[2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine

C12H11F4N3 — CID 115050749

IUPAC[2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine
SMILESCc1[nH]c(C(F)(F)F)nc1-c1ccc(F)c(CN)c1
InChIInChI=1S/C12H11F4N3/c1-6-10(19-11(18-6)12(14,15)16)7-2-3-9(13)8(4-7)5-17/h2-4H,5,17H2,1H3,(H,18,19)
InChIKeyDDRUZVTWUHUGOT-UHFFFAOYSA-N
MW273.23 g/mol
LogP3.00
Rot. Bonds2

About [2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine

[2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine (PubChem CID 115050749) has the molecular formula C12H11F4N3 and a molecular weight of 273.23 g/mol. Its IUPAC name is [2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine
PubChem CID115050749
Molecular FormulaC12H11F4N3
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC Name[2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine
SMILESCc1[nH]c(C(F)(F)F)nc1-c1ccc(F)c(CN)c1
InChIInChI=1S/C12H11F4N3/c1-6-10(19-11(18-6)12(14,15)16)7-2-3-9(13)8(4-7)5-17/h2-4H,5,17H2,1H3,(H,18,19)
InChIKeyDDRUZVTWUHUGOT-UHFFFAOYSA-N
XLogP3.00
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine
CID 43649221
[2-fluoro-5-(3-fluoro-5-methylphenyl)phenyl]methanamine
CID 79690313
[5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine
CID 82822985
(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774
4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine
CID 115024516
4-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463646
[5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine
CID 62549550
4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105471255
[5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine
CID 172649980
3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine
CID 79813477
[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine
CID 79743323
[2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine
CID 61033431

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine?
The IUPAC name of [2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine (CID 115050749) is [2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine is Cc1[nH]c(C(F)(F)F)nc1-c1ccc(F)c(CN)c1.
What is the InChIKey of [2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine?
The InChIKey is DDRUZVTWUHUGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3/c1-6-10(19-11(18-6)12(14,15)16)7-2-3-9(13)8(4-7)5-17/h2-4H,5,17H2,1H3,(H,18,19).
What are the key properties of [2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine?
[2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine has a molecular weight of 273.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]methanamine is sourced from PubChem (CID 115050749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).