2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine

C14H18FN3 — CID 60847502

IUPAC2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine
SMILESCCCC(C)(N)c1ncc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C14H18FN3/c1-3-7-14(2,16)13-17-9-12(18-13)10-5-4-6-11(15)8-10/h4-6,8-9H,3,7,16H2,1-2H3,(H,17,18)
InChIKeyFHSPDVAPUANGOK-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.19
Rot. Bonds4

About 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine

2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine (PubChem CID 60847502) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine
PubChem CID60847502
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine
SMILESCCCC(C)(N)c1ncc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C14H18FN3/c1-3-7-14(2,16)13-17-9-12(18-13)10-5-4-6-11(15)8-10/h4-6,8-9H,3,7,16H2,1-2H3,(H,17,18)
InChIKeyFHSPDVAPUANGOK-UHFFFAOYSA-N
XLogP3.19
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine?
The IUPAC name of 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine (CID 60847502) is 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine.
What is the SMILES notation for 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine?
The canonical SMILES for 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine is CCCC(C)(N)c1ncc(-c2cccc(F)c2)[nH]1.
What is the InChIKey of 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine?
The InChIKey is FHSPDVAPUANGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-7-14(2,16)13-17-9-12(18-13)10-5-4-6-11(15)8-10/h4-6,8-9H,3,7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine?
2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine has a molecular weight of 247.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine is sourced from PubChem (CID 60847502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).