1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine

C12H10BrF3N4 — CID 168628715

IUPAC1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(C(F)(F)F)cc2Br)c(N)n1
InChIInChI=1S/C12H10BrF3N4/c1-7-6-20(11(17)19-7)18-5-8-2-3-9(4-10(8)13)12(14,15)16/h2-6H,1H3,(H2,17,19)
InChIKeyBYTSVKYMVKNBBP-UHFFFAOYSA-N
MW347.14 g/mol
LogP3.44
Rot. Bonds2

About 1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628715) has the molecular formula C12H10BrF3N4 and a molecular weight of 347.14 g/mol. Its IUPAC name is 1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628715
Molecular FormulaC12H10BrF3N4
Molecular Weight347.14 g/mol
Exact Mass346.00
IUPAC Name1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(C(F)(F)F)cc2Br)c(N)n1
InChIInChI=1S/C12H10BrF3N4/c1-7-6-20(11(17)19-7)18-5-8-2-3-9(4-10(8)13)12(14,15)16/h2-6H,1H3,(H2,17,19)
InChIKeyBYTSVKYMVKNBBP-UHFFFAOYSA-N
XLogP3.44
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.14
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628714
1-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630140
5-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2,4-dibromophenol
CID 168630885
4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine
CID 168631069
1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168600756
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-3-(trifluoromethyl)phenyl]boronic acid
CID 168629703
1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630162
1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628497
6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-bromo-3-fluorophenol
CID 168631311
1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631150
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
1-[[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630950

Frequently Asked Questions

What is the IUPAC name of 1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168628715) is 1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccc(C(F)(F)F)cc2Br)c(N)n1.
What is the InChIKey of 1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is BYTSVKYMVKNBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N4/c1-7-6-20(11(17)19-7)18-5-8-2-3-9(4-10(8)13)12(14,15)16/h2-6H,1H3,(H2,17,19).
What are the key properties of 1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 347.14 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).