1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine

C17H18FN3 — CID 63816233

IUPAC1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1-n1cnc2ccccc21
InChIInChI=1S/C17H18FN3/c1-2-14(19)10-12-9-13(18)7-8-16(12)21-11-20-15-5-3-4-6-17(15)21/h3-9,11,14H,2,10,19H2,1H3
InChIKeyRKTISFIUTSUVFR-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.44
Rot. Bonds4

About 1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine

1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine (PubChem CID 63816233) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine
PubChem CID63816233
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1-n1cnc2ccccc21
InChIInChI=1S/C17H18FN3/c1-2-14(19)10-12-9-13(18)7-8-16(12)21-11-20-15-5-3-4-6-17(15)21/h3-9,11,14H,2,10,19H2,1H3
InChIKeyRKTISFIUTSUVFR-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 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

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N-[[4-(benzimidazol-1-yl)-3-fluorophenyl]methyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine?
The IUPAC name of 1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine (CID 63816233) is 1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine is CCC(N)Cc1cc(F)ccc1-n1cnc2ccccc21.
What is the InChIKey of 1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine?
The InChIKey is RKTISFIUTSUVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-2-14(19)10-12-9-13(18)7-8-16(12)21-11-20-15-5-3-4-6-17(15)21/h3-9,11,14H,2,10,19H2,1H3.
What are the key properties of 1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine?
1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine 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 1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine is sourced from PubChem (CID 63816233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).