1-(5-chloro-2-methylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

C18H21ClN6O — CID 655302

IUPAC1-(5-chloro-2-methylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCc1ccc(Cl)cc1N1CCN(Cc2nnnn2Cc2ccco2)CC1
InChIInChI=1S/C18H21ClN6O/c1-14-4-5-15(19)11-17(14)24-8-6-23(7-9-24)13-18-20-21-22-25(18)12-16-3-2-10-26-16/h2-5,10-11H,6-9,12-13H2,1H3
InChIKeyUZOLITXROUINGU-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.60
Rot. Bonds5

About 1-(5-chloro-2-methylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

1-(5-chloro-2-methylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 655302) has the molecular formula C18H21ClN6O and a molecular weight of 372.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID655302
Molecular FormulaC18H21ClN6O
Molecular Weight372.86 g/mol
Exact Mass372.15
IUPAC Name1-(5-chloro-2-methylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCc1ccc(Cl)cc1N1CCN(Cc2nnnn2Cc2ccco2)CC1
InChIInChI=1S/C18H21ClN6O/c1-14-4-5-15(19)11-17(14)24-8-6-23(7-9-24)13-18-20-21-22-25(18)12-16-3-2-10-26-16/h2-5,10-11H,6-9,12-13H2,1H3
InChIKeyUZOLITXROUINGU-UHFFFAOYSA-N
XLogP2.60
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (CID 655302) is 1-(5-chloro-2-methylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is Cc1ccc(Cl)cc1N1CCN(Cc2nnnn2Cc2ccco2)CC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is UZOLITXROUINGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O/c1-14-4-5-15(19)11-17(14)24-8-6-23(7-9-24)13-18-20-21-22-25(18)12-16-3-2-10-26-16/h2-5,10-11H,6-9,12-13H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
1-(5-chloro-2-methylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 372.86 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 655302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).