1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine

C21H24N4 — CID 112801173

IUPAC1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine
SMILESCc1ccccc1N1CCN(Cc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C21H24N4/c1-18-4-2-3-5-21(18)24-14-12-23(13-15-24)16-19-6-8-20(9-7-19)25-11-10-22-17-25/h2-11,17H,12-16H2,1H3
InChIKeyVVWIIOODTJKSQJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.50
Rot. Bonds4

About 1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine

1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine (PubChem CID 112801173) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine
PubChem CID112801173
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine
SMILESCc1ccccc1N1CCN(Cc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C21H24N4/c1-18-4-2-3-5-21(18)24-14-12-23(13-15-24)16-19-6-8-20(9-7-19)25-11-10-22-17-25/h2-11,17H,12-16H2,1H3
InChIKeyVVWIIOODTJKSQJ-UHFFFAOYSA-N
XLogP3.50
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine?
The IUPAC name of 1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine (CID 112801173) is 1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine.
What is the SMILES notation for 1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine?
The canonical SMILES for 1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine is Cc1ccccc1N1CCN(Cc2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of 1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine?
The InChIKey is VVWIIOODTJKSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-18-4-2-3-5-21(18)24-14-12-23(13-15-24)16-19-6-8-20(9-7-19)25-11-10-22-17-25/h2-11,17H,12-16H2,1H3.
What are the key properties of 1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine?
1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine has a molecular weight of 332.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine is sourced from PubChem (CID 112801173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).