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

C17H22FN3 — CID 67214244

IUPAC(1R)-2-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine
SMILESN[C@H](CC1CCCCC1)c1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C17H22FN3/c18-14-8-6-13(7-9-14)16-11-20-17(21-16)15(19)10-12-4-2-1-3-5-12/h6-9,11-12,15H,1-5,10,19H2,(H,20,21)/t15-/m1/s1
InChIKeyXBWNSELWDBVRNW-OAHLLOKOSA-N
MW287.38 g/mol
LogP4.19
Rot. Bonds4

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

(1R)-2-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine (PubChem CID 67214244) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is (1R)-2-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1R)-2-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine
PubChem CID67214244
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name(1R)-2-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine
SMILESN[C@H](CC1CCCCC1)c1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C17H22FN3/c18-14-8-6-13(7-9-14)16-11-20-17(21-16)15(19)10-12-4-2-1-3-5-12/h6-9,11-12,15H,1-5,10,19H2,(H,20,21)/t15-/m1/s1
InChIKeyXBWNSELWDBVRNW-OAHLLOKOSA-N
XLogP4.19
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of (1R)-2-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine (CID 67214244) is (1R)-2-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for (1R)-2-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for (1R)-2-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine is N[C@H](CC1CCCCC1)c1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of (1R)-2-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is XBWNSELWDBVRNW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22FN3/c18-14-8-6-13(7-9-14)16-11-20-17(21-16)15(19)10-12-4-2-1-3-5-12/h6-9,11-12,15H,1-5,10,19H2,(H,20,21)/t15-/m1/s1.
What are the key properties of (1R)-2-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine?
(1R)-2-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 67214244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).