2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine

C12H14FN3 — CID 65232799

IUPAC2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCC(CN)c1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C12H14FN3/c1-8(6-14)12-15-7-11(16-12)9-4-2-3-5-10(9)13/h2-5,7-8H,6,14H2,1H3,(H,15,16)
InChIKeyAQTFJNODKJOEPM-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.28
Rot. Bonds3

About 2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine

2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 65232799) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID65232799
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCC(CN)c1ncc(-c2ccccc2F)[nH]1
InChIInChI=1S/C12H14FN3/c1-8(6-14)12-15-7-11(16-12)9-4-2-3-5-10(9)13/h2-5,7-8H,6,14H2,1H3,(H,15,16)
InChIKeyAQTFJNODKJOEPM-UHFFFAOYSA-N
XLogP2.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine (CID 65232799) is 2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine is CC(CN)c1ncc(-c2ccccc2F)[nH]1.
What is the InChIKey of 2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is AQTFJNODKJOEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8(6-14)12-15-7-11(16-12)9-4-2-3-5-10(9)13/h2-5,7-8H,6,14H2,1H3,(H,15,16).
What are the key properties of 2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine?
2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 219.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 65232799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).