1-(2-fluorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanamine

C16H16FN3 — CID 18069870

IUPAC1-(2-fluorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanamine
SMILESCc1nc2ccccc2n1CC(N)c1ccccc1F
InChIInChI=1S/C16H16FN3/c1-11-19-15-8-4-5-9-16(15)20(11)10-14(18)12-6-2-3-7-13(12)17/h2-9,14H,10,18H2,1H3
InChIKeyNCUZLVBBPHEISU-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.18
Rot. Bonds3

About 1-(2-fluorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanamine

1-(2-fluorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanamine (PubChem CID 18069870) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanamine
PubChem CID18069870
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name1-(2-fluorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanamine
SMILESCc1nc2ccccc2n1CC(N)c1ccccc1F
InChIInChI=1S/C16H16FN3/c1-11-19-15-8-4-5-9-16(15)20(11)10-14(18)12-6-2-3-7-13(12)17/h2-9,14H,10,18H2,1H3
InChIKeyNCUZLVBBPHEISU-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanamine (CID 18069870) is 1-(2-fluorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanamine is Cc1nc2ccccc2n1CC(N)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanamine?
The InChIKey is NCUZLVBBPHEISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-11-19-15-8-4-5-9-16(15)20(11)10-14(18)12-6-2-3-7-13(12)17/h2-9,14H,10,18H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanamine?
1-(2-fluorophenyl)-2-(2-methylbenzimidazol-1-yl)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 1-(2-fluorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanamine is sourced from PubChem (CID 18069870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).