N'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide

C20H18F3N5 — CID 123459408

IUPACN'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide
SMILESC=N/C(=N\C)c1ccnc(-c2cn(CCc3ccccc3C(F)(F)F)cn2)c1
InChIInChI=1S/C20H18F3N5/c1-24-19(25-2)15-7-9-26-17(11-15)18-12-28(13-27-18)10-8-14-5-3-4-6-16(14)20(21,22)23/h3-7,9,11-13H,1,8,10H2,2H3/b25-19-
InChIKeyBGYQFDHDWKUWBJ-PLRJNAJWSA-N
MW385.39 g/mol
LogP4.28
Rot. Bonds5

About N'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide

N'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide (PubChem CID 123459408) has the molecular formula C20H18F3N5 and a molecular weight of 385.39 g/mol. Its IUPAC name is N'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide
PubChem CID123459408
Molecular FormulaC20H18F3N5
Molecular Weight385.39 g/mol
Exact Mass385.15
IUPAC NameN'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide
SMILESC=N/C(=N\C)c1ccnc(-c2cn(CCc3ccccc3C(F)(F)F)cn2)c1
InChIInChI=1S/C20H18F3N5/c1-24-19(25-2)15-7-9-26-17(11-15)18-12-28(13-27-18)10-8-14-5-3-4-6-16(14)20(21,22)23/h3-7,9,11-13H,1,8,10H2,2H3/b25-19-
InChIKeyBGYQFDHDWKUWBJ-PLRJNAJWSA-N
XLogP4.28
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121290275
(Z)-1-[2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine
CID 166968745
2-[2-[2-[2-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
CID 90462362
(Z)-1-[2-[1-[2-(2,5-difluorophenyl)ethyl]imidazol-4-yl]-4-pyridinyl]-3,3,3-trifluoro-2-hydrazinylprop-1-en-1-amine
CID 130453065
2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid;toluene
CID 144718396
4-bromo-2-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]phenol
CID 174628995
2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid
CID 90407056
2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-4-carbonitrile
CID 90407518
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67518329
2-[2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
CID 90457135
2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121454350

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide?
The IUPAC name of N'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide (CID 123459408) is N'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide.
What is the SMILES notation for N'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide?
The canonical SMILES for N'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide is C=N/C(=N\C)c1ccnc(-c2cn(CCc3ccccc3C(F)(F)F)cn2)c1.
What is the InChIKey of N'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide?
The InChIKey is BGYQFDHDWKUWBJ-PLRJNAJWSA-N. The full InChI is InChI=1S/C20H18F3N5/c1-24-19(25-2)15-7-9-26-17(11-15)18-12-28(13-27-18)10-8-14-5-3-4-6-16(14)20(21,22)23/h3-7,9,11-13H,1,8,10H2,2H3/b25-19-.
What are the key properties of N'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide?
N'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide has a molecular weight of 385.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-methylidene-2-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]pyridine-4-carboximidamide is sourced from PubChem (CID 123459408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).