2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine

C16H16FN3 — CID 105169896

IUPAC2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine
SMILESCc1cc(F)cc(C(N)Cn2cnc3ccccc32)c1
InChIInChI=1S/C16H16FN3/c1-11-6-12(8-13(17)7-11)14(18)9-20-10-19-15-4-2-3-5-16(15)20/h2-8,10,14H,9,18H2,1H3
InChIKeyOMGJCQPCRMVEQA-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.18
Rot. Bonds3

About 2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine

2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine (PubChem CID 105169896) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine
PubChem CID105169896
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine
SMILESCc1cc(F)cc(C(N)Cn2cnc3ccccc32)c1
InChIInChI=1S/C16H16FN3/c1-11-6-12(8-13(17)7-11)14(18)9-20-10-19-15-4-2-3-5-16(15)20/h2-8,10,14H,9,18H2,1H3
InChIKeyOMGJCQPCRMVEQA-UHFFFAOYSA-N
XLogP3.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine 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

[2-(benzimidazol-1-yl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105288022
2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine
CID 105115151
1-(benzimidazol-1-yl)-4-ethylhexan-2-amine
CID 105176644
[2-(benzimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105292476
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 47555657
2-(benzimidazol-1-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 105143106
[2-(benzimidazol-1-yl)-1-(5-methylthiophen-3-yl)ethyl]hydrazine
CID 105313179
2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 107130065
1-(3-fluoro-5-methylphenyl)-2-pyridin-2-ylethanamine
CID 79703275
1-(benzimidazol-1-yl)hexan-2-amine
CID 105125140

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine (CID 105169896) is 2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine is Cc1cc(F)cc(C(N)Cn2cnc3ccccc32)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine?
The InChIKey is OMGJCQPCRMVEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-11-6-12(8-13(17)7-11)14(18)9-20-10-19-15-4-2-3-5-16(15)20/h2-8,10,14H,9,18H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine?
2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine has a molecular weight of 269.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine is sourced from PubChem (CID 105169896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).