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

C15H18FN3 — CID 54928275

IUPAC4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
SMILESNC1CCC(c2ncc(-c3cccc(F)c3)[nH]2)CC1
InChIInChI=1S/C15H18FN3/c16-12-3-1-2-11(8-12)14-9-18-15(19-14)10-4-6-13(17)7-5-10/h1-3,8-10,13H,4-7,17H2,(H,18,19)
InChIKeyPOZNHMYERKEFFA-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.20
Rot. Bonds2

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

4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine (PubChem CID 54928275) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
PubChem CID54928275
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
SMILESNC1CCC(c2ncc(-c3cccc(F)c3)[nH]2)CC1
InChIInChI=1S/C15H18FN3/c16-12-3-1-2-11(8-12)14-9-18-15(19-14)10-4-6-13(17)7-5-10/h1-3,8-10,13H,4-7,17H2,(H,18,19)
InChIKeyPOZNHMYERKEFFA-UHFFFAOYSA-N
XLogP3.20
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.20
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]cyclohexan-1-amine?
The IUPAC name of 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine (CID 54928275) is 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine is NC1CCC(c2ncc(-c3cccc(F)c3)[nH]2)CC1.
What is the InChIKey of 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The InChIKey is POZNHMYERKEFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c16-12-3-1-2-11(8-12)14-9-18-15(19-14)10-4-6-13(17)7-5-10/h1-3,8-10,13H,4-7,17H2,(H,18,19).
What are the key properties of 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine?
4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine has a molecular weight of 259.33 g/mol, XLogP of 3.20, 2 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]cyclohexan-1-amine is sourced from PubChem (CID 54928275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).