[4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone

C22H21F3N4O2 — CID 51361130

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3[nH]c(C(F)(F)F)nc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C22H21F3N4O2/c1-31-17-9-7-16(8-10-17)28-11-13-29(14-12-28)20(30)19-18(15-5-3-2-4-6-15)26-21(27-19)22(23,24)25/h2-10H,11-14H2,1H3,(H,26,27)
InChIKeyDZABUUQKJLGNOD-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.07
Rot. Bonds4

About [4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone (PubChem CID 51361130) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone
PubChem CID51361130
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3[nH]c(C(F)(F)F)nc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C22H21F3N4O2/c1-31-17-9-7-16(8-10-17)28-11-13-29(14-12-28)20(30)19-18(15-5-3-2-4-6-15)26-21(27-19)22(23,24)25/h2-10H,11-14H2,1H3,(H,26,27)
InChIKeyDZABUUQKJLGNOD-UHFFFAOYSA-N
XLogP4.07
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone (CID 51361130) is [4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone is COc1ccc(N2CCN(C(=O)c3[nH]c(C(F)(F)F)nc3-c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone?
The InChIKey is DZABUUQKJLGNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-31-17-9-7-16(8-10-17)28-11-13-29(14-12-28)20(30)19-18(15-5-3-2-4-6-15)26-21(27-19)22(23,24)25/h2-10H,11-14H2,1H3,(H,26,27).
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone has a molecular weight of 430.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone is sourced from PubChem (CID 51361130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).