1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one

C23H22N4O2 — CID 122506529

IUPAC1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one
SMILESCc1cc(-c2ccccc2)ccc1COc1c(C)cccc1-n1nnn(C)c1=O
InChIInChI=1S/C23H22N4O2/c1-16-8-7-11-21(27-23(28)26(3)24-25-27)22(16)29-15-20-13-12-19(14-17(20)2)18-9-5-4-6-10-18/h4-14H,15H2,1-3H3
InChIKeyACIKTXDDVYUBGG-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.83
Rot. Bonds5

About 1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one

1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one (PubChem CID 122506529) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one.

Molecular Properties

Compound Name1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one
PubChem CID122506529
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one
SMILESCc1cc(-c2ccccc2)ccc1COc1c(C)cccc1-n1nnn(C)c1=O
InChIInChI=1S/C23H22N4O2/c1-16-8-7-11-21(27-23(28)26(3)24-25-27)22(16)29-15-20-13-12-19(14-17(20)2)18-9-5-4-6-10-18/h4-14H,15H2,1-3H3
InChIKeyACIKTXDDVYUBGG-UHFFFAOYSA-N
XLogP3.83
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one?
The IUPAC name of 1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one (CID 122506529) is 1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one.
What is the SMILES notation for 1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one?
The canonical SMILES for 1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one is Cc1cc(-c2ccccc2)ccc1COc1c(C)cccc1-n1nnn(C)c1=O.
What is the InChIKey of 1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one?
The InChIKey is ACIKTXDDVYUBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16-8-7-11-21(27-23(28)26(3)24-25-27)22(16)29-15-20-13-12-19(14-17(20)2)18-9-5-4-6-10-18/h4-14H,15H2,1-3H3.
What are the key properties of 1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one?
1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one has a molecular weight of 386.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-methyl-2-[(2-methyl-4-phenylphenyl)methoxy]phenyl]tetrazol-5-one is sourced from PubChem (CID 122506529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).