2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine

C16H16FN3 — CID 60784916

IUPAC2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine
SMILESCn1c(-c2ccc(CCN)cc2)nc2c(F)cccc21
InChIInChI=1S/C16H16FN3/c1-20-14-4-2-3-13(17)15(14)19-16(20)12-7-5-11(6-8-12)9-10-18/h2-8H,9-10,18H2,1H3
InChIKeyLSROZITYIIOCSH-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.88
Rot. Bonds3

About 2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine

2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine (PubChem CID 60784916) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine
PubChem CID60784916
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine
SMILESCn1c(-c2ccc(CCN)cc2)nc2c(F)cccc21
InChIInChI=1S/C16H16FN3/c1-20-14-4-2-3-13(17)15(14)19-16(20)12-7-5-11(6-8-12)9-10-18/h2-8H,9-10,18H2,1H3
InChIKeyLSROZITYIIOCSH-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]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-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783997
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine
CID 63262129
[1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine
CID 104721477
2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine
CID 60785385
1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine
CID 61380518
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050
2-[4-(2,6-dimethylphenyl)phenyl]ethanamine
CID 82038957
2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 63111708
5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 60835551
2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 62694910
ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357720

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine (CID 60784916) is 2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine is Cn1c(-c2ccc(CCN)cc2)nc2c(F)cccc21.
What is the InChIKey of 2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine?
The InChIKey is LSROZITYIIOCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-20-14-4-2-3-13(17)15(14)19-16(20)12-7-5-11(6-8-12)9-10-18/h2-8H,9-10,18H2,1H3.
What are the key properties of 2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine?
2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine has a molecular weight of 269.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 60784916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).