1-adamantyl-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]methanone

C24H29FN4O — CID 42111078

IUPAC1-adamantyl-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2nccn2-c2ccccc2F)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29FN4O/c25-20-3-1-2-4-21(20)29-6-5-26-23(29)28-9-7-27(8-10-28)22(30)24-14-17-11-18(15-24)13-19(12-17)16-24/h1-6,17-19H,7-16H2
InChIKeyUQRZTEIRZDCNSG-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.88
Rot. Bonds3

About 1-adamantyl-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]methanone

1-adamantyl-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]methanone (PubChem CID 42111078) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-adamantyl-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]methanone
PubChem CID42111078
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name1-adamantyl-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2nccn2-c2ccccc2F)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29FN4O/c25-20-3-1-2-4-21(20)29-6-5-26-23(29)28-9-7-27(8-10-28)22(30)24-14-17-11-18(15-24)13-19(12-17)16-24/h1-6,17-19H,7-16H2
InChIKeyUQRZTEIRZDCNSG-UHFFFAOYSA-N
XLogP3.88
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]methanone (CID 42111078) is 1-adamantyl-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]methanone is O=C(N1CCN(c2nccn2-c2ccccc2F)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is UQRZTEIRZDCNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c25-20-3-1-2-4-21(20)29-6-5-26-23(29)28-9-7-27(8-10-28)22(30)24-14-17-11-18(15-24)13-19(12-17)16-24/h1-6,17-19H,7-16H2.
What are the key properties of 1-adamantyl-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]methanone?
1-adamantyl-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 408.52 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[4-[1-(2-fluorophenyl)imidazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 42111078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).