2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole

C15H12F3N3O — CID 127035403

IUPAC2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole
SMILESCOc1ccc(Cn2nc3ccc(C(F)(F)F)cc3n2)cc1
InChIInChI=1S/C15H12F3N3O/c1-22-12-5-2-10(3-6-12)9-21-19-13-7-4-11(15(16,17)18)8-14(13)20-21/h2-8H,9H2,1H3
InChIKeyYHFMIZHNSAVXCJ-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.51
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole

2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole (PubChem CID 127035403) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole
PubChem CID127035403
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole
SMILESCOc1ccc(Cn2nc3ccc(C(F)(F)F)cc3n2)cc1
InChIInChI=1S/C15H12F3N3O/c1-22-12-5-2-10(3-6-12)9-21-19-13-7-4-11(15(16,17)18)8-14(13)20-21/h2-8H,9H2,1H3
InChIKeyYHFMIZHNSAVXCJ-UHFFFAOYSA-N
XLogP3.51
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598
4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]triazole
CID 162666489
2-(5-methoxybenzotriazol-2-yl)-5-(trifluoromethyl)phenol
CID 18672844
N,N-diethyl-3-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine
CID 155544312
7-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 134788234
(1S)-1-[1-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylbutan-1-amine
CID 56663378
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
N-[(4-methoxyphenyl)methyl]-1-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
CID 44524536
2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine
CID 102715155
2-methoxy-5-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 11420595
3-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]benzimidazol-1-one
CID 121471696
3-[(4-methoxyphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
CID 58578898

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole (CID 127035403) is 2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole is COc1ccc(Cn2nc3ccc(C(F)(F)F)cc3n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole?
The InChIKey is YHFMIZHNSAVXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-22-12-5-2-10(3-6-12)9-21-19-13-7-4-11(15(16,17)18)8-14(13)20-21/h2-8H,9H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole?
2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole has a molecular weight of 307.28 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)benzotriazole is sourced from PubChem (CID 127035403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).