N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine

C12H10F5N3 — CID 61314637

IUPACN-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESCNC(c1c(F)c(F)c(F)c(F)c1F)c1nccn1C
InChIInChI=1S/C12H10F5N3/c1-18-11(12-19-3-4-20(12)2)5-6(13)8(15)10(17)9(16)7(5)14/h3-4,11,18H,1-2H3
InChIKeyVVAZNFVUGGTFNJ-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.42
Rot. Bonds3

About N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine

N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine (PubChem CID 61314637) has the molecular formula C12H10F5N3 and a molecular weight of 291.22 g/mol. Its IUPAC name is N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine
PubChem CID61314637
Molecular FormulaC12H10F5N3
Molecular Weight291.22 g/mol
Exact Mass291.08
IUPAC NameN-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESCNC(c1c(F)c(F)c(F)c(F)c1F)c1nccn1C
InChIInChI=1S/C12H10F5N3/c1-18-11(12-19-3-4-20(12)2)5-6(13)8(15)10(17)9(16)7(5)14/h3-4,11,18H,1-2H3
InChIKeyVVAZNFVUGGTFNJ-UHFFFAOYSA-N
XLogP2.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(1-methylimidazol-2-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 61315934
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 82811959
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316313
1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 114029545
bis(1-methylimidazol-2-yl)methylhydrazine
CID 105258117
N-methyl-1-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)methanamine
CID 115530544
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 105149645
1-(2,5-dimethylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316310
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 80538939
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 114659289
1-(2,4-dibromophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 107945877
[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105192712

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine?
The IUPAC name of N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine (CID 61314637) is N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine is CNC(c1c(F)c(F)c(F)c(F)c1F)c1nccn1C.
What is the InChIKey of N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine?
The InChIKey is VVAZNFVUGGTFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F5N3/c1-18-11(12-19-3-4-20(12)2)5-6(13)8(15)10(17)9(16)7(5)14/h3-4,11,18H,1-2H3.
What are the key properties of N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine?
N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine has a molecular weight of 291.22 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylimidazol-2-yl)-1-(2,3,4,5,6-pentafluorophenyl)methanamine is sourced from PubChem (CID 61314637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).