1-benzyl-3-(3-benzylimidazol-4-yl)piperazine

C21H24N4 — CID 134851631

IUPAC1-benzyl-3-(3-benzylimidazol-4-yl)piperazine
SMILESc1ccc(CN2CCNC(c3cncn3Cc3ccccc3)C2)cc1
InChIInChI=1S/C21H24N4/c1-3-7-18(8-4-1)14-24-12-11-23-20(16-24)21-13-22-17-25(21)15-19-9-5-2-6-10-19/h1-10,13,17,20,23H,11-12,14-16H2
InChIKeyXMQRSOSDTQYEPA-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.08
Rot. Bonds5

About 1-benzyl-3-(3-benzylimidazol-4-yl)piperazine

1-benzyl-3-(3-benzylimidazol-4-yl)piperazine (PubChem CID 134851631) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-benzyl-3-(3-benzylimidazol-4-yl)piperazine.

Molecular Properties

Compound Name1-benzyl-3-(3-benzylimidazol-4-yl)piperazine
PubChem CID134851631
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name1-benzyl-3-(3-benzylimidazol-4-yl)piperazine
SMILESc1ccc(CN2CCNC(c3cncn3Cc3ccccc3)C2)cc1
InChIInChI=1S/C21H24N4/c1-3-7-18(8-4-1)14-24-12-11-23-20(16-24)21-13-22-17-25(21)15-19-9-5-2-6-10-19/h1-10,13,17,20,23H,11-12,14-16H2
InChIKeyXMQRSOSDTQYEPA-UHFFFAOYSA-N
XLogP3.08
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
2-(4-benzylpiperazin-2-yl)aniline
CID 66697568
4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine
CID 104942141
4-(4-benzylpiperazin-2-yl)benzaldehyde
CID 166460961
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244
1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine
CID 154747305
(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
3-phenyl-1-(pyridin-4-ylmethyl)-1,4-diazepane
CID 64857270
1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941677
1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114702895

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-benzylimidazol-4-yl)piperazine?
The IUPAC name of 1-benzyl-3-(3-benzylimidazol-4-yl)piperazine (CID 134851631) is 1-benzyl-3-(3-benzylimidazol-4-yl)piperazine.
What is the SMILES notation for 1-benzyl-3-(3-benzylimidazol-4-yl)piperazine?
The canonical SMILES for 1-benzyl-3-(3-benzylimidazol-4-yl)piperazine is c1ccc(CN2CCNC(c3cncn3Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-benzyl-3-(3-benzylimidazol-4-yl)piperazine?
The InChIKey is XMQRSOSDTQYEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-3-7-18(8-4-1)14-24-12-11-23-20(16-24)21-13-22-17-25(21)15-19-9-5-2-6-10-19/h1-10,13,17,20,23H,11-12,14-16H2.
What are the key properties of 1-benzyl-3-(3-benzylimidazol-4-yl)piperazine?
1-benzyl-3-(3-benzylimidazol-4-yl)piperazine has a molecular weight of 332.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-benzylimidazol-4-yl)piperazine is sourced from PubChem (CID 134851631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).