1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-2H-imidazol-1-yl]phenyl]-4-methylpiperazine

C23H30N4O2 — CID 174593052

IUPAC1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-2H-imidazol-1-yl]phenyl]-4-methylpiperazine
SMILESCOc1ccc(N2C=CN(c3ccc(N4CCN(C)CC4)cc3)C2C)cc1OC
InChIInChI=1S/C23H30N4O2/c1-18-26(15-16-27(18)21-9-10-22(28-3)23(17-21)29-4)20-7-5-19(6-8-20)25-13-11-24(2)12-14-25/h5-10,15-18H,11-14H2,1-4H3
InChIKeyJUWJVOBDLPSKJM-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.60
Rot. Bonds5

About 1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-2H-imidazol-1-yl]phenyl]-4-methylpiperazine

1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-2H-imidazol-1-yl]phenyl]-4-methylpiperazine (PubChem CID 174593052) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-2H-imidazol-1-yl]phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-2H-imidazol-1-yl]phenyl]-4-methylpiperazine
PubChem CID174593052
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-2H-imidazol-1-yl]phenyl]-4-methylpiperazine
SMILESCOc1ccc(N2C=CN(c3ccc(N4CCN(C)CC4)cc3)C2C)cc1OC
InChIInChI=1S/C23H30N4O2/c1-18-26(15-16-27(18)21-9-10-22(28-3)23(17-21)29-4)20-7-5-19(6-8-20)25-13-11-24(2)12-14-25/h5-10,15-18H,11-14H2,1-4H3
InChIKeyJUWJVOBDLPSKJM-UHFFFAOYSA-N
XLogP3.60
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
1-(3,4-dimethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108866230
1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine
CID 59545760
[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]boronic acid
CID 124926588
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 176816359
methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate
CID 66996253
2-methoxy-4-(4-methylpiperazin-1-yl)benzoyl chloride
CID 142792187
3-fluoro-4-methoxy-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890284
1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine
CID 69476818
2,3-bis[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]butanedinitrile
CID 68944197

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-2H-imidazol-1-yl]phenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-2H-imidazol-1-yl]phenyl]-4-methylpiperazine (CID 174593052) is 1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-2H-imidazol-1-yl]phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-2H-imidazol-1-yl]phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-2H-imidazol-1-yl]phenyl]-4-methylpiperazine is COc1ccc(N2C=CN(c3ccc(N4CCN(C)CC4)cc3)C2C)cc1OC.
What is the InChIKey of 1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-2H-imidazol-1-yl]phenyl]-4-methylpiperazine?
The InChIKey is JUWJVOBDLPSKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-26(15-16-27(18)21-9-10-22(28-3)23(17-21)29-4)20-7-5-19(6-8-20)25-13-11-24(2)12-14-25/h5-10,15-18H,11-14H2,1-4H3.
What are the key properties of 1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-2H-imidazol-1-yl]phenyl]-4-methylpiperazine?
1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-2H-imidazol-1-yl]phenyl]-4-methylpiperazine has a molecular weight of 394.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3,4-dimethoxyphenyl)-2-methyl-2H-imidazol-1-yl]phenyl]-4-methylpiperazine is sourced from PubChem (CID 174593052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).