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

C22H21F3N4O2 — CID 51361127

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)CC1
InChIInChI=1S/C22H21F3N4O2/c1-31-17-10-6-5-9-16(17)28-11-13-29(14-12-28)20(30)19-18(15-7-3-2-4-8-15)26-21(27-19)22(23,24)25/h2-10H,11-14H2,1H3,(H,26,27)
InChIKeyXNRCABRZJKODOK-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.07
Rot. Bonds4

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

[4-(2-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone (PubChem CID 51361127) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone
PubChem CID51361127
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)CC1
InChIInChI=1S/C22H21F3N4O2/c1-31-17-10-6-5-9-16(17)28-11-13-29(14-12-28)20(30)19-18(15-7-3-2-4-8-15)26-21(27-19)22(23,24)25/h2-10H,11-14H2,1H3,(H,26,27)
InChIKeyXNRCABRZJKODOK-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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone (CID 51361127) is [4-(2-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone is COc1ccccc1N1CCN(C(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone?
The InChIKey is XNRCABRZJKODOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-31-17-10-6-5-9-16(17)28-11-13-29(14-12-28)20(30)19-18(15-7-3-2-4-8-15)26-21(27-19)22(23,24)25/h2-10H,11-14H2,1H3,(H,26,27).
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone?
[4-(2-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-(2-methoxyphenyl)piperazin-1-yl]-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]methanone is sourced from PubChem (CID 51361127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).