2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine

C17H18FN3 — CID 107130065

IUPAC2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cn1cnc2ccccc21)c1ccc(C)c(F)c1
InChIInChI=1S/C17H18FN3/c1-12-7-8-13(9-14(12)18)16(19-2)10-21-11-20-15-5-3-4-6-17(15)21/h3-9,11,16,19H,10H2,1-2H3
InChIKeyUBDVIKQTCOYJHC-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.44
Rot. Bonds4

About 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine

2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine (PubChem CID 107130065) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
PubChem CID107130065
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cn1cnc2ccccc21)c1ccc(C)c(F)c1
InChIInChI=1S/C17H18FN3/c1-12-7-8-13(9-14(12)18)16(19-2)10-21-11-20-15-5-3-4-6-17(15)21/h3-9,11,16,19H,10H2,1-2H3
InChIKeyUBDVIKQTCOYJHC-UHFFFAOYSA-N
XLogP3.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzimidazol-1-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 105143106
2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105146117
2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 105118530
[2-(benzimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105292476
2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 47555657
1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 60819926
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55795820
1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 107130321
2-(4,5-dimethylimidazol-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 62349856
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119851641
2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 105169896
[2-(benzimidazol-1-yl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105288022

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine (CID 107130065) is 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine is CNC(Cn1cnc2ccccc21)c1ccc(C)c(F)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
The InChIKey is UBDVIKQTCOYJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-12-7-8-13(9-14(12)18)16(19-2)10-21-11-20-15-5-3-4-6-17(15)21/h3-9,11,16,19H,10H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine?
2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine has a molecular weight of 283.35 g/mol, XLogP of 3.44, 4 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-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 107130065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).