1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

C17H21ClF2N8O — CID 120870103

IUPAC1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1nnnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H20F2N8O.ClH/c1-25-8-7-21-16(25)14-10-20-6-9-26(14)11-15-22-23-24-27(15)12-2-4-13(5-3-12)28-17(18)19;/h2-5,7-8,14,17,20H,6,9-11H2,1H3;1H
InChIKeyLLXWYHCBQVTPDQ-UHFFFAOYSA-N
MW426.86 g/mol
LogP1.57
Rot. Bonds6

About 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (PubChem CID 120870103) has the molecular formula C17H21ClF2N8O and a molecular weight of 426.86 g/mol. Its IUPAC name is 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
PubChem CID120870103
Molecular FormulaC17H21ClF2N8O
Molecular Weight426.86 g/mol
Exact Mass426.15
IUPAC Name1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1nnnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H20F2N8O.ClH/c1-25-8-7-21-16(25)14-10-20-6-9-26(14)11-15-22-23-24-27(15)12-2-4-13(5-3-12)28-17(18)19;/h2-5,7-8,14,17,20H,6,9-11H2,1H3;1H
InChIKeyLLXWYHCBQVTPDQ-UHFFFAOYSA-N
XLogP1.57
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylimidazol-2-yl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 120870731
1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911748
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120912130
2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
CID 120911839
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475
1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole
CID 60558770
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
(2S)-1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119910715
2-(4-ethylphenyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperazine;hydrochloride
CID 120758112
2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride
CID 120870422

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The IUPAC name of 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (CID 120870103) is 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The canonical SMILES for 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is Cl.Cn1ccnc1C1CNCCN1Cc1nnnn1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The InChIKey is LLXWYHCBQVTPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N8O.ClH/c1-25-8-7-21-16(25)14-10-20-6-9-26(14)11-15-22-23-24-27(15)12-2-4-13(5-3-12)28-17(18)19;/h2-5,7-8,14,17,20H,6,9-11H2,1H3;1H.
What are the key properties of 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride has a molecular weight of 426.86 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 120870103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).