[4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone

C22H23FN4O — CID 162669860

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H23FN4O/c1-17(18-7-3-2-4-8-18)27-16-24-15-21(27)22(28)26-13-11-25(12-14-26)20-10-6-5-9-19(20)23/h2-10,15-17H,11-14H2,1H3/t17-/m1/s1
InChIKeyXPVUJNOBOCRPNV-QGZVFWFLSA-N
MW378.45 g/mol
LogP3.59
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone (PubChem CID 162669860) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
PubChem CID162669860
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H23FN4O/c1-17(18-7-3-2-4-8-18)27-16-24-15-21(27)22(28)26-13-11-25(12-14-26)20-10-6-5-9-19(20)23/h2-10,15-17H,11-14H2,1H3/t17-/m1/s1
InChIKeyXPVUJNOBOCRPNV-QGZVFWFLSA-N
XLogP3.59
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone (CID 162669860) is [4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone is C[C@H](c1ccccc1)n1cncc1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone?
The InChIKey is XPVUJNOBOCRPNV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-17(18-7-3-2-4-8-18)27-16-24-15-21(27)22(28)26-13-11-25(12-14-26)20-10-6-5-9-19(20)23/h2-10,15-17H,11-14H2,1H3/t17-/m1/s1.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone has a molecular weight of 378.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone is sourced from PubChem (CID 162669860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).