(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone

C20H25FN4O — CID 146127877

IUPAC(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone
SMILESO=C(c1cncn1-c1ccc(F)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H25FN4O/c21-16-6-8-18(9-7-16)25-15-22-14-19(25)20(26)24-12-10-23(11-13-24)17-4-2-1-3-5-17/h6-9,14-15,17H,1-5,10-13H2
InChIKeyQWKNKRAUUYRPQD-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.10
Rot. Bonds3

About (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone

(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone (PubChem CID 146127877) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone
PubChem CID146127877
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone
SMILESO=C(c1cncn1-c1ccc(F)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H25FN4O/c21-16-6-8-18(9-7-16)25-15-22-14-19(25)20(26)24-12-10-23(11-13-24)17-4-2-1-3-5-17/h6-9,14-15,17H,1-5,10-13H2
InChIKeyQWKNKRAUUYRPQD-UHFFFAOYSA-N
XLogP3.10
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone (CID 146127877) is (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone is O=C(c1cncn1-c1ccc(F)cc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone?
The InChIKey is QWKNKRAUUYRPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-16-6-8-18(9-7-16)25-15-22-14-19(25)20(26)24-12-10-23(11-13-24)17-4-2-1-3-5-17/h6-9,14-15,17H,1-5,10-13H2.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone has a molecular weight of 356.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone is sourced from PubChem (CID 146127877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).