4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine

C14H18FN3 — CID 116877271

IUPAC4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine
SMILESCC(C)(N)CCc1ncc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C14H18FN3/c1-14(2,16)7-6-13-17-9-12(18-13)10-4-3-5-11(15)8-10/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,18)
InChIKeyBSVWSHYLNWTUJG-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.89
Rot. Bonds4

About 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine

4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine (PubChem CID 116877271) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine
PubChem CID116877271
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine
SMILESCC(C)(N)CCc1ncc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C14H18FN3/c1-14(2,16)7-6-13-17-9-12(18-13)10-4-3-5-11(15)8-10/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,18)
InChIKeyBSVWSHYLNWTUJG-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine?
The IUPAC name of 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine (CID 116877271) is 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine.
What is the SMILES notation for 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine?
The canonical SMILES for 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine is CC(C)(N)CCc1ncc(-c2cccc(F)c2)[nH]1.
What is the InChIKey of 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine?
The InChIKey is BSVWSHYLNWTUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-14(2,16)7-6-13-17-9-12(18-13)10-4-3-5-11(15)8-10/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,18).
What are the key properties of 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine?
4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine has a molecular weight of 247.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine is sourced from PubChem (CID 116877271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).