3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline

C20H14F3N3 — CID 11462328

IUPAC3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline
SMILESNc1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1
InChIInChI=1S/C20H14F3N3/c21-20(22,23)14-10-17(13-5-4-6-15(24)9-13)19-18(11-14)25-12-26(19)16-7-2-1-3-8-16/h1-12H,24H2
InChIKeyDACHMEZPDFYDAN-UHFFFAOYSA-N
MW353.35 g/mol
LogP5.29
Rot. Bonds2

About 3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline

3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline (PubChem CID 11462328) has the molecular formula C20H14F3N3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline.

Molecular Properties

Compound Name3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline
PubChem CID11462328
Molecular FormulaC20H14F3N3
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline
SMILESNc1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1
InChIInChI=1S/C20H14F3N3/c21-20(22,23)14-10-17(13-5-4-6-15(24)9-13)19-18(11-14)25-12-26(19)16-7-2-1-3-8-16/h1-12H,24H2
InChIKeyDACHMEZPDFYDAN-UHFFFAOYSA-N
XLogP5.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.35
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[3-(1-methoxyethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole
CID 11338440
7-iodo-1-phenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-7-pyridin-3-yl-5-(trifluoromethyl)benzimidazole
CID 159280490
7-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)benzimidazole
CID 11178001
3-phenyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67191628
3-[5-(3-aminophenyl)-2-phenyltriazol-4-yl]aniline
CID 852672
7-(3-methoxyphenyl)-1-phenylbenzimidazole-5-carbonitrile
CID 11198141
1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 4593193
1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole
CID 18957886
1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 71287829
2-(3-aminophenyl)-9-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117092309
(Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide
CID 11383636
aniline;3-(trifluoromethyl)aniline
CID 160634583

Frequently Asked Questions

What is the IUPAC name of 3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline?
The IUPAC name of 3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline (CID 11462328) is 3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline.
What is the SMILES notation for 3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline?
The canonical SMILES for 3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline is Nc1cccc(-c2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)c1.
What is the InChIKey of 3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline?
The InChIKey is DACHMEZPDFYDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3/c21-20(22,23)14-10-17(13-5-4-6-15(24)9-13)19-18(11-14)25-12-26(19)16-7-2-1-3-8-16/h1-12H,24H2.
What are the key properties of 3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline?
3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline has a molecular weight of 353.35 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline is sourced from PubChem (CID 11462328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).