4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline

C21H20N4 — CID 4269444

IUPAC4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccccc2)n2nc3ccccc3n2)cc1
InChIInChI=1S/C21H20N4/c1-24(2)18-14-12-17(13-15-18)21(16-8-4-3-5-9-16)25-22-19-10-6-7-11-20(19)23-25/h3-15,21H,1-2H3
InChIKeySNCSOLMQCUISAA-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.14
Rot. Bonds4

About 4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline

4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline (PubChem CID 4269444) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline
PubChem CID4269444
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccccc2)n2nc3ccccc3n2)cc1
InChIInChI=1S/C21H20N4/c1-24(2)18-14-12-17(13-15-18)21(16-8-4-3-5-9-16)25-22-19-10-6-7-11-20(19)23-25/h3-15,21H,1-2H3
InChIKeySNCSOLMQCUISAA-UHFFFAOYSA-N
XLogP4.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline (CID 4269444) is 4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline is CN(C)c1ccc(C(c2ccccc2)n2nc3ccccc3n2)cc1.
What is the InChIKey of 4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline?
The InChIKey is SNCSOLMQCUISAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-24(2)18-14-12-17(13-15-18)21(16-8-4-3-5-9-16)25-22-19-10-6-7-11-20(19)23-25/h3-15,21H,1-2H3.
What are the key properties of 4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline?
4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline has a molecular weight of 328.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 4269444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).