1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

C19H25ClN6 — CID 120912277

IUPAC1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1nccn1Cc1ccccc1
InChIInChI=1S/C19H24N6.ClH/c1-23-10-8-22-19(23)17-13-20-7-11-24(17)15-18-21-9-12-25(18)14-16-5-3-2-4-6-16;/h2-6,8-10,12,17,20H,7,11,13-15H2,1H3;1H
InChIKeySQNBVJNBBFLTNC-UHFFFAOYSA-N
MW372.90 g/mol
LogP2.23
Rot. Bonds5

About 1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (PubChem CID 120912277) has the molecular formula C19H25ClN6 and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
PubChem CID120912277
Molecular FormulaC19H25ClN6
Molecular Weight372.90 g/mol
Exact Mass372.18
IUPAC Name1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1nccn1Cc1ccccc1
InChIInChI=1S/C19H24N6.ClH/c1-23-10-8-22-19(23)17-13-20-7-11-24(17)15-18-21-9-12-25(18)14-16-5-3-2-4-6-16;/h2-6,8-10,12,17,20H,7,11,13-15H2,1H3;1H
InChIKeySQNBVJNBBFLTNC-UHFFFAOYSA-N
XLogP2.23
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-benzylimidazol-2-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910621
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475
2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 120870731
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
CID 120911839
3-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole;hydrochloride
CID 120967347
2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120912333
2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride
CID 120911731
1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911827
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911795

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (CID 120912277) is 1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The canonical SMILES for 1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is Cl.Cn1ccnc1C1CNCCN1Cc1nccn1Cc1ccccc1.
What is the InChIKey of 1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The InChIKey is SQNBVJNBBFLTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6.ClH/c1-23-10-8-22-19(23)17-13-20-7-11-24(17)15-18-21-9-12-25(18)14-16-5-3-2-4-6-16;/h2-6,8-10,12,17,20H,7,11,13-15H2,1H3;1H.
What are the key properties of 1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 120912277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).