(4-benzhydrylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone

C25H24N6O — CID 2355819

IUPAC(4-benzhydrylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cnnn2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H24N6O/c32-25(22-11-13-23(14-12-22)31-19-26-27-28-31)30-17-15-29(16-18-30)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,19,24H,15-18H2
InChIKeyNBASXBUUNPZFKJ-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.21
Rot. Bonds5

About (4-benzhydrylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone

(4-benzhydrylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone (PubChem CID 2355819) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
PubChem CID2355819
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cnnn2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H24N6O/c32-25(22-11-13-23(14-12-22)31-19-26-27-28-31)30-17-15-29(16-18-30)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,19,24H,15-18H2
InChIKeyNBASXBUUNPZFKJ-UHFFFAOYSA-N
XLogP3.21
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone (CID 2355819) is (4-benzhydrylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone is O=C(c1ccc(-n2cnnn2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is NBASXBUUNPZFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c32-25(22-11-13-23(14-12-22)31-19-26-27-28-31)30-17-15-29(16-18-30)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,19,24H,15-18H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone?
(4-benzhydrylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 424.51 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 2355819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).