2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine

C16H16FN3 — CID 60783423

IUPAC2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine
SMILESCn1c(CC(N)c2ccccc2)nc2cc(F)ccc21
InChIInChI=1S/C16H16FN3/c1-20-15-8-7-12(17)9-14(15)19-16(20)10-13(18)11-5-3-2-4-6-11/h2-9,13H,10,18H2,1H3
InChIKeyNYPPIEKZCLFPJF-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.95
Rot. Bonds3

About 2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine

2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine (PubChem CID 60783423) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine
PubChem CID60783423
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine
SMILESCn1c(CC(N)c2ccccc2)nc2cc(F)ccc21
InChIInChI=1S/C16H16FN3/c1-20-15-8-7-12(17)9-14(15)19-16(20)10-13(18)11-5-3-2-4-6-11/h2-9,13H,10,18H2,1H3
InChIKeyNYPPIEKZCLFPJF-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine?
The IUPAC name of 2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine (CID 60783423) is 2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine.
What is the SMILES notation for 2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine?
The canonical SMILES for 2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine is Cn1c(CC(N)c2ccccc2)nc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine?
The InChIKey is NYPPIEKZCLFPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-20-15-8-7-12(17)9-14(15)19-16(20)10-13(18)11-5-3-2-4-6-11/h2-9,13H,10,18H2,1H3.
What are the key properties of 2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine?
2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine has a molecular weight of 269.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine is sourced from PubChem (CID 60783423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).