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

C13H10F6N4 — CID 168628714

IUPAC1-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c(N)n1
InChIInChI=1S/C13H10F6N4/c1-7-6-23(11(20)22-7)21-5-8-2-3-9(12(14,15)16)4-10(8)13(17,18)19/h2-6H,1H3,(H2,20,22)
InChIKeyIKQUDHWBKVIBRN-UHFFFAOYSA-N
MW336.24 g/mol
LogP3.69
Rot. Bonds2

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

1-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628714) has the molecular formula C13H10F6N4 and a molecular weight of 336.24 g/mol. Its IUPAC name is 1-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628714
Molecular FormulaC13H10F6N4
Molecular Weight336.24 g/mol
Exact Mass336.08
IUPAC Name1-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c(N)n1
InChIInChI=1S/C13H10F6N4/c1-7-6-23(11(20)22-7)21-5-8-2-3-9(12(14,15)16)4-10(8)13(17,18)19/h2-6H,1H3,(H2,20,22)
InChIKeyIKQUDHWBKVIBRN-UHFFFAOYSA-N
XLogP3.69
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 53.69
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-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628715
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-3-(trifluoromethyl)phenyl]boronic acid
CID 168629703
4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine
CID 168631069
1-[(2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628497
1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630067
1-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630140
1-[[2-amino-5-(trifluoromethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631136
1-[[2-methoxy-6-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168631247
1-[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630162
1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628790
1-[(5-bromo-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168600756
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-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168628714) is 1-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c(N)n1.
What is the InChIKey of 1-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is IKQUDHWBKVIBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6N4/c1-7-6-23(11(20)22-7)21-5-8-2-3-9(12(14,15)16)4-10(8)13(17,18)19/h2-6H,1H3,(H2,20,22).
What are the key properties of 1-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 336.24 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).