2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine

C16H20N8 — CID 120870731

IUPAC2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine
SMILESCn1ccnc1C1CNCCN1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C16H20N8/c1-22-9-8-18-16(22)14-11-17-7-10-23(14)12-15-19-20-21-24(15)13-5-3-2-4-6-13/h2-6,8-9,14,17H,7,10-12H2,1H3
InChIKeyMYBQWIBKJOFHAM-UHFFFAOYSA-N
MW324.39 g/mol
LogP0.54
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine

2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine (PubChem CID 120870731) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine
PubChem CID120870731
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine
SMILESCn1ccnc1C1CNCCN1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C16H20N8/c1-22-9-8-18-16(22)14-11-17-7-10-23(14)12-15-19-20-21-24(15)13-5-3-2-4-6-13/h2-6,8-9,14,17H,7,10-12H2,1H3
InChIKeyMYBQWIBKJOFHAM-UHFFFAOYSA-N
XLogP0.54
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870103
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277
2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride
CID 120758112
2-(1-methylimidazol-2-yl)-1-(2-phenylpropyl)piperazine;hydrochloride
CID 120911731
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
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-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120911940
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine (CID 120870731) is 2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine is Cn1ccnc1C1CNCCN1Cc1nnnn1-c1ccccc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine?
The InChIKey is MYBQWIBKJOFHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-22-9-8-18-16(22)14-11-17-7-10-23(14)12-15-19-20-21-24(15)13-5-3-2-4-6-13/h2-6,8-9,14,17H,7,10-12H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine?
2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine has a molecular weight of 324.39 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 120870731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).