2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine

C12H10F5N3 — CID 43607987

IUPAC2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
SMILESCNC(Cc1ncc[nH]1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H10F5N3/c1-18-5(4-6-19-2-3-20-6)7-8(13)10(15)12(17)11(16)9(7)14/h2-3,5,18H,4H2,1H3,(H,19,20)
InChIKeyQMTARDCIEKSNHV-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.61
Rot. Bonds4

About 2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine

2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine (PubChem CID 43607987) has the molecular formula C12H10F5N3 and a molecular weight of 291.22 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
PubChem CID43607987
Molecular FormulaC12H10F5N3
Molecular Weight291.22 g/mol
Exact Mass291.08
IUPAC Name2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
SMILESCNC(Cc1ncc[nH]1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H10F5N3/c1-18-5(4-6-19-2-3-20-6)7-8(13)10(15)12(17)11(16)9(7)14/h2-3,5,18H,4H2,1H3,(H,19,20)
InChIKeyQMTARDCIEKSNHV-UHFFFAOYSA-N
XLogP2.61
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487055
2-(1H-imidazol-2-yl)-N-methyl-1-(1H-pyrazol-5-yl)ethanamine
CID 82239716
1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487092
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 80536178
1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 81110287
1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43805254
1-(5-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487053
1-(2,6-dichlorophenyl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
CID 43493442
2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 43487152
N-[1-(2,6-dichlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498082
2-(2-bromopropyl)-1H-imidazole
CID 61096377

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine?
The IUPAC name of 2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine (CID 43607987) is 2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine is CNC(Cc1ncc[nH]1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine?
The InChIKey is QMTARDCIEKSNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F5N3/c1-18-5(4-6-19-2-3-20-6)7-8(13)10(15)12(17)11(16)9(7)14/h2-3,5,18H,4H2,1H3,(H,19,20).
What are the key properties of 2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine?
2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine has a molecular weight of 291.22 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine is sourced from PubChem (CID 43607987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).