[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine

C15H13F2N3 — CID 82332052

IUPAC[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
SMILESNCc1nc2cc(F)ccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C15H13F2N3/c16-11-3-1-10(2-4-11)9-20-14-6-5-12(17)7-13(14)19-15(20)8-18/h1-7H,8-9,18H2
InChIKeySAUHDBBLPHUMBF-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.82
Rot. Bonds3

About [5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine

[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine (PubChem CID 82332052) has the molecular formula C15H13F2N3 and a molecular weight of 273.29 g/mol. Its IUPAC name is [5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
PubChem CID82332052
Molecular FormulaC15H13F2N3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
SMILESNCc1nc2cc(F)ccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C15H13F2N3/c16-11-3-1-10(2-4-11)9-20-14-6-5-12(17)7-13(14)19-15(20)8-18/h1-7H,8-9,18H2
InChIKeySAUHDBBLPHUMBF-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332049
2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 43666558
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
2-(chloromethyl)-5-fluoro-1-(pyridin-4-ylmethyl)benzimidazole
CID 43660334
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 82332299
2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole
CID 62533609
[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82333492
5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole
CID 129175478
2-(2,2-dimethylbutyl)-5-fluoro-1-[(4-methylsulfonylphenyl)methyl]benzimidazole
CID 57003096
[5-fluoro-1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methanamine
CID 82332068
2-(chloromethyl)-5-fluoro-1-[(3-methoxyphenyl)methyl]benzimidazole
CID 61029065

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine?
The IUPAC name of [5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine (CID 82332052) is [5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine.
What is the SMILES notation for [5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine?
The canonical SMILES for [5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine is NCc1nc2cc(F)ccc2n1Cc1ccc(F)cc1.
What is the InChIKey of [5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine?
The InChIKey is SAUHDBBLPHUMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3/c16-11-3-1-10(2-4-11)9-20-14-6-5-12(17)7-13(14)19-15(20)8-18/h1-7H,8-9,18H2.
What are the key properties of [5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine?
[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine has a molecular weight of 273.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine is sourced from PubChem (CID 82332052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).