1-(4-methoxyphenyl)-N-(2-phenylbenzotriazol-5-yl)methanimine

C20H16N4O — CID 5337648

IUPAC1-(4-methoxyphenyl)-N-(2-phenylbenzotriazol-5-yl)methanimine
SMILESCOc1ccc(/C=N/c2ccc3nn(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C20H16N4O/c1-25-18-10-7-15(8-11-18)14-21-16-9-12-19-20(13-16)23-24(22-19)17-5-3-2-4-6-17/h2-14H,1H3/b21-14+
InChIKeyAELIJIPLPZOPEY-KGENOOAVSA-N
MW328.38 g/mol
LogP4.18
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-(2-phenylbenzotriazol-5-yl)methanimine

1-(4-methoxyphenyl)-N-(2-phenylbenzotriazol-5-yl)methanimine (PubChem CID 5337648) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(2-phenylbenzotriazol-5-yl)methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(2-phenylbenzotriazol-5-yl)methanimine
PubChem CID5337648
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name1-(4-methoxyphenyl)-N-(2-phenylbenzotriazol-5-yl)methanimine
SMILESCOc1ccc(/C=N/c2ccc3nn(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C20H16N4O/c1-25-18-10-7-15(8-11-18)14-21-16-9-12-19-20(13-16)23-24(22-19)17-5-3-2-4-6-17/h2-14H,1H3/b21-14+
InChIKeyAELIJIPLPZOPEY-KGENOOAVSA-N
XLogP4.18
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(2-phenylbenzotriazol-5-yl)methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(2-phenylbenzotriazol-5-yl)methanimine (CID 5337648) is 1-(4-methoxyphenyl)-N-(2-phenylbenzotriazol-5-yl)methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(2-phenylbenzotriazol-5-yl)methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(2-phenylbenzotriazol-5-yl)methanimine is COc1ccc(/C=N/c2ccc3nn(-c4ccccc4)nc3c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(2-phenylbenzotriazol-5-yl)methanimine?
The InChIKey is AELIJIPLPZOPEY-KGENOOAVSA-N. The full InChI is InChI=1S/C20H16N4O/c1-25-18-10-7-15(8-11-18)14-21-16-9-12-19-20(13-16)23-24(22-19)17-5-3-2-4-6-17/h2-14H,1H3/b21-14+.
What are the key properties of 1-(4-methoxyphenyl)-N-(2-phenylbenzotriazol-5-yl)methanimine?
1-(4-methoxyphenyl)-N-(2-phenylbenzotriazol-5-yl)methanimine has a molecular weight of 328.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(2-phenylbenzotriazol-5-yl)methanimine is sourced from PubChem (CID 5337648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).