4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine

C17H14F3N5 — CID 168631069

IUPAC4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccc(-c3cc(C(F)(F)F)ccn3)cc2)c(N)n1
InChIInChI=1S/C17H14F3N5/c1-11-10-25(16(21)24-11)23-9-12-2-4-13(5-3-12)15-8-14(6-7-22-15)17(18,19)20/h2-10H,1H3,(H2,21,24)
InChIKeyDGXNUVQGTRWRJY-UHFFFAOYSA-N
MW345.33 g/mol
LogP3.74
Rot. Bonds3

About 4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine

4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine (PubChem CID 168631069) has the molecular formula C17H14F3N5 and a molecular weight of 345.33 g/mol. Its IUPAC name is 4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine
PubChem CID168631069
Molecular FormulaC17H14F3N5
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccc(-c3cc(C(F)(F)F)ccn3)cc2)c(N)n1
InChIInChI=1S/C17H14F3N5/c1-11-10-25(16(21)24-11)23-9-12-2-4-13(5-3-12)15-8-14(6-7-22-15)17(18,19)20/h2-10H,1H3,(H2,21,24)
InChIKeyDGXNUVQGTRWRJY-UHFFFAOYSA-N
XLogP3.74
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.74
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

1-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628714
[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidenehydrazine
CID 168531320
1-[[2-bromo-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628715
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630629
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]-trifluoroboranuide
CID 168628704
1-[[3-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630067
4-methyl-1-[(3-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine
CID 168629653
4-methyl-1-[(2-phenylquinolin-7-yl)methylideneamino]imidazol-2-amine
CID 168629687
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
[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]thiourea
CID 168536237
4-methyl-1-[(1-methylbenzimidazol-5-yl)methylideneamino]imidazol-2-amine
CID 168629654

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine (CID 168631069) is 4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine is Cc1cn(N=Cc2ccc(-c3cc(C(F)(F)F)ccn3)cc2)c(N)n1.
What is the InChIKey of 4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine?
The InChIKey is DGXNUVQGTRWRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5/c1-11-10-25(16(21)24-11)23-9-12-2-4-13(5-3-12)15-8-14(6-7-22-15)17(18,19)20/h2-10H,1H3,(H2,21,24).
What are the key properties of 4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine?
4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine has a molecular weight of 345.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168631069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).