1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone

C17H20N8O — CID 120880192

IUPAC1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
SMILESCn1ccnc1C1CNCCN1C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H20N8O/c1-23-9-8-19-17(23)14-11-18-7-10-24(14)15(26)12-25-21-16(20-22-25)13-5-3-2-4-6-13/h2-6,8-9,14,18H,7,10-12H2,1H3
InChIKeyXFUXCASDMGWRDL-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.25
Rot. Bonds4

About 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone (PubChem CID 120880192) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
PubChem CID120880192
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
SMILESCn1ccnc1C1CNCCN1C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H20N8O/c1-23-9-8-19-17(23)14-11-18-7-10-24(14)15(26)12-25-21-16(20-22-25)13-5-3-2-4-6-13/h2-6,8-9,14,18H,7,10-12H2,1H3
InChIKeyXFUXCASDMGWRDL-UHFFFAOYSA-N
XLogP0.25
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 120739238
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 120879746
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120880922
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 120879518
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one
CID 120879614
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 120877420
1-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
CID 120879613
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone (CID 120880192) is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone is Cn1ccnc1C1CNCCN1C(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
The InChIKey is XFUXCASDMGWRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-23-9-8-19-17(23)14-11-18-7-10-24(14)15(26)12-25-21-16(20-22-25)13-5-3-2-4-6-13/h2-6,8-9,14,18H,7,10-12H2,1H3.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone has a molecular weight of 352.40 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone is sourced from PubChem (CID 120880192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).