1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine

C27H28N4O — CID 10025385

IUPAC1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn(-c3ccccc3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C27H28N4O/c1-32-26-15-9-8-14-25(26)30-18-16-29(17-19-30)20-23-21-31(24-12-6-3-7-13-24)27(28-23)22-10-4-2-5-11-22/h2-15,21H,16-20H2,1H3
InChIKeyUMUCSJYFZZHPKI-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.87
Rot. Bonds6

About 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine

1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 10025385) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID10025385
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn(-c3ccccc3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C27H28N4O/c1-32-26-15-9-8-14-25(26)30-18-16-29(17-19-30)20-23-21-31(24-12-6-3-7-13-24)27(28-23)22-10-4-2-5-11-22/h2-15,21H,16-20H2,1H3
InChIKeyUMUCSJYFZZHPKI-UHFFFAOYSA-N
XLogP4.87
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine (CID 10025385) is 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2cn(-c3ccccc3)c(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is UMUCSJYFZZHPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-32-26-15-9-8-14-25(26)30-18-16-29(17-19-30)20-23-21-31(24-12-6-3-7-13-24)27(28-23)22-10-4-2-5-11-22/h2-15,21H,16-20H2,1H3.
What are the key properties of 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine?
1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 424.55 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,2-diphenylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 10025385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).