1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine

C12H10BrF3N4O — CID 168631150

IUPAC1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(Br)c(OC(F)(F)F)c2)c(N)n1
InChIInChI=1S/C12H10BrF3N4O/c1-7-6-20(11(17)19-7)18-5-8-2-3-9(13)10(4-8)21-12(14,15)16/h2-6H,1H3,(H2,17,19)
InChIKeyDTEOALICAFYPNM-UHFFFAOYSA-N
MW363.14 g/mol
LogP3.32
Rot. Bonds3

About 1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168631150) has the molecular formula C12H10BrF3N4O and a molecular weight of 363.14 g/mol. Its IUPAC name is 1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168631150
Molecular FormulaC12H10BrF3N4O
Molecular Weight363.14 g/mol
Exact Mass362.00
IUPAC Name1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(Br)c(OC(F)(F)F)c2)c(N)n1
InChIInChI=1S/C12H10BrF3N4O/c1-7-6-20(11(17)19-7)18-5-8-2-3-9(13)10(4-8)21-12(14,15)16/h2-6H,1H3,(H2,17,19)
InChIKeyDTEOALICAFYPNM-UHFFFAOYSA-N
XLogP3.32
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.14
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine
CID 168628572
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630067
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630629
1-[(4-iodo-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168631305
1-[[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630950
4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine
CID 168629130
1-[[2-amino-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631136
1-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628638
1-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628835
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492

Frequently Asked Questions

What is the IUPAC name of 1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168631150) is 1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccc(Br)c(OC(F)(F)F)c2)c(N)n1.
What is the InChIKey of 1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is DTEOALICAFYPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N4O/c1-7-6-20(11(17)19-7)18-5-8-2-3-9(13)10(4-8)21-12(14,15)16/h2-6H,1H3,(H2,17,19).
What are the key properties of 1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 363.14 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-bromo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168631150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).