N-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline

C15H11F3N4 — CID 169384028

IUPACN-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline
SMILESFC(F)(F)c1nc2c(C=NNc3ccccc3)cccc2[nH]1
InChIInChI=1S/C15H11F3N4/c16-15(17,18)14-20-12-8-4-5-10(13(12)21-14)9-19-22-11-6-2-1-3-7-11/h1-9,22H,(H,20,21)
InChIKeyQEXSHGLPQPKDOR-UHFFFAOYSA-N
MW304.28 g/mol
LogP4.03
Rot. Bonds3

About N-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline

N-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline (PubChem CID 169384028) has the molecular formula C15H11F3N4 and a molecular weight of 304.28 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline
PubChem CID169384028
Molecular FormulaC15H11F3N4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC NameN-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline
SMILESFC(F)(F)c1nc2c(C=NNc3ccccc3)cccc2[nH]1
InChIInChI=1S/C15H11F3N4/c16-15(17,18)14-20-12-8-4-5-10(13(12)21-14)9-19-22-11-6-2-1-3-7-11/h1-9,22H,(H,20,21)
InChIKeyQEXSHGLPQPKDOR-UHFFFAOYSA-N
XLogP4.03
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(quinolin-8-ylmethylideneamino)aniline
CID 169381691
N-(naphthalen-1-ylmethylideneamino)-4-(trifluoromethyl)aniline
CID 110842073
3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 9060609
4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline
CID 78597503
N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169383558
N-(1H-indol-3-ylmethylideneamino)-3-(trifluoromethyl)aniline
CID 136704769
3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one
CID 137201303
N-[[2-(4-methylphenyl)phenyl]methylideneamino]aniline
CID 169382251
N-[(3-chloro-2-iodophenyl)methylideneamino]aniline
CID 169383776
2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]-3H-quinazolin-4-one
CID 168553191
5-bromo-4-fluoro-2-(trifluoromethyl)-1H-benzimidazole
CID 122235439
5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
CID 135603822

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline?
The IUPAC name of N-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline (CID 169384028) is N-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline.
What is the SMILES notation for N-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline?
The canonical SMILES for N-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline is FC(F)(F)c1nc2c(C=NNc3ccccc3)cccc2[nH]1.
What is the InChIKey of N-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline?
The InChIKey is QEXSHGLPQPKDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4/c16-15(17,18)14-20-12-8-4-5-10(13(12)21-14)9-19-22-11-6-2-1-3-7-11/h1-9,22H,(H,20,21).
What are the key properties of N-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline?
N-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline has a molecular weight of 304.28 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline is sourced from PubChem (CID 169384028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).