4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline

C20H16FN3 — CID 92629103

IUPAC4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
SMILESNc1ccc(-c2nc3ccccc3n2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H16FN3/c21-16-9-5-14(6-10-16)13-24-19-4-2-1-3-18(19)23-20(24)15-7-11-17(22)12-8-15/h1-12H,13,22H2
InChIKeyARZKEKDACMALKY-UHFFFAOYSA-N
MW317.37 g/mol
LogP4.47
Rot. Bonds3

About 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline

4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline (PubChem CID 92629103) has the molecular formula C20H16FN3 and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline.

Molecular Properties

Compound Name4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
PubChem CID92629103
Molecular FormulaC20H16FN3
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC Name4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
SMILESNc1ccc(-c2nc3ccccc3n2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H16FN3/c21-16-9-5-14(6-10-16)13-24-19-4-2-1-3-18(19)23-20(24)15-7-11-17(22)12-8-15/h1-12H,13,22H2
InChIKeyARZKEKDACMALKY-UHFFFAOYSA-N
XLogP4.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 54.47
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

1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243208
4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629105
1-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243205
2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole
CID 20930563
[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol
CID 90040837
4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]aniline
CID 92629106
4-[(2-phenylbenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 39148129
2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole
CID 134126886
4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile
CID 134083964
4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 39151457
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 1472616

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline?
The IUPAC name of 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline (CID 92629103) is 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline.
What is the SMILES notation for 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline?
The canonical SMILES for 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline is Nc1ccc(-c2nc3ccccc3n2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline?
The InChIKey is ARZKEKDACMALKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3/c21-16-9-5-14(6-10-16)13-24-19-4-2-1-3-18(19)23-20(24)15-7-11-17(22)12-8-15/h1-12H,13,22H2.
What are the key properties of 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline?
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline has a molecular weight of 317.37 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline is sourced from PubChem (CID 92629103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).