1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

C25H31FN4O3 — CID 18949424

IUPAC1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3nc(-c4ccc(F)cc4)[nH]c3C)CC2)c(OC)c1OC
InChIInChI=1S/C25H31FN4O3/c1-17-21(28-25(27-17)18-5-8-20(26)9-6-18)16-30-13-11-29(12-14-30)15-19-7-10-22(31-2)24(33-4)23(19)32-3/h5-10H,11-16H2,1-4H3,(H,27,28)
InChIKeyVREPAMJRLGXRCU-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.87
Rot. Bonds8

About 1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 18949424) has the molecular formula C25H31FN4O3 and a molecular weight of 454.55 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID18949424
Molecular FormulaC25H31FN4O3
Molecular Weight454.55 g/mol
Exact Mass454.24
IUPAC Name1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3nc(-c4ccc(F)cc4)[nH]c3C)CC2)c(OC)c1OC
InChIInChI=1S/C25H31FN4O3/c1-17-21(28-25(27-17)18-5-8-20(26)9-6-18)16-30-13-11-29(12-14-30)15-19-7-10-22(31-2)24(33-4)23(19)32-3/h5-10H,11-16H2,1-4H3,(H,27,28)
InChIKeyVREPAMJRLGXRCU-UHFFFAOYSA-N
XLogP3.87
TPSA62.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine with MolForge

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Related Compounds

1-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 18949422
(4-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131721
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127833
1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine
CID 19106707
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
2-(4-aminophenyl)-6-[(2,3,4-trimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916561
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 770198
1-[(2-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127805
1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3049530

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 18949424) is 1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(Cc3nc(-c4ccc(F)cc4)[nH]c3C)CC2)c(OC)c1OC.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is VREPAMJRLGXRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O3/c1-17-21(28-25(27-17)18-5-8-20(26)9-6-18)16-30-13-11-29(12-14-30)15-19-7-10-22(31-2)24(33-4)23(19)32-3/h5-10H,11-16H2,1-4H3,(H,27,28).
What are the key properties of 1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 454.55 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)-5-methyl-1H-imidazol-4-yl]methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 18949424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).