1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine

C17H22FN3 — CID 102970675

IUPAC1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine
SMILESCC(N)(c1ncc(-c2ccc(F)cc2)[nH]1)C1CCCCC1
InChIInChI=1S/C17H22FN3/c1-17(19,13-5-3-2-4-6-13)16-20-11-15(21-16)12-7-9-14(18)10-8-12/h7-11,13H,2-6,19H2,1H3,(H,20,21)
InChIKeyUVECFBBRSUNYRI-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.97
Rot. Bonds3

About 1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine

1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine (PubChem CID 102970675) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine
PubChem CID102970675
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine
SMILESCC(N)(c1ncc(-c2ccc(F)cc2)[nH]1)C1CCCCC1
InChIInChI=1S/C17H22FN3/c1-17(19,13-5-3-2-4-6-13)16-20-11-15(21-16)12-7-9-14(18)10-8-12/h7-11,13H,2-6,19H2,1H3,(H,20,21)
InChIKeyUVECFBBRSUNYRI-UHFFFAOYSA-N
XLogP3.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine (CID 102970675) is 1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine is CC(N)(c1ncc(-c2ccc(F)cc2)[nH]1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is UVECFBBRSUNYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-17(19,13-5-3-2-4-6-13)16-20-11-15(21-16)12-7-9-14(18)10-8-12/h7-11,13H,2-6,19H2,1H3,(H,20,21).
What are the key properties of 1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine?
1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 102970675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).