1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole

C20H17N3 — CID 134125631

IUPAC1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole
SMILESCc1cccc(Cn2nnc3ccccc32)c1-c1ccccc1
InChIInChI=1S/C20H17N3/c1-15-8-7-11-17(20(15)16-9-3-2-4-10-16)14-23-19-13-6-5-12-18(19)21-22-23/h2-13H,14H2,1H3
InChIKeyDSHINWVAFMVQLH-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.46
Rot. Bonds3

About 1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole

1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole (PubChem CID 134125631) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole
PubChem CID134125631
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole
SMILESCc1cccc(Cn2nnc3ccccc32)c1-c1ccccc1
InChIInChI=1S/C20H17N3/c1-15-8-7-11-17(20(15)16-9-3-2-4-10-16)14-23-19-13-6-5-12-18(19)21-22-23/h2-13H,14H2,1H3
InChIKeyDSHINWVAFMVQLH-UHFFFAOYSA-N
XLogP4.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,6-dimethylphenoxy)ethyl]benzotriazole
CID 6490953
1-[(2-nitrophenyl)methyl]benzotriazole
CID 5132851
1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole
CID 101452435
2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole
CID 8560671
1-[(4-chlorophenyl)methyl]benzotriazole
CID 894883
(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
CID 139088366
1-[3-(2,3-dimethylphenoxy)propyl]benzotriazole
CID 2987716
1-[3-(2-methylphenoxy)propyl]benzotriazole
CID 3161273
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-[[2,6-bis(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]methyl]benzotriazole
CID 137424006
3-(benzotriazol-1-yl)propan-1-amine
CID 4220188
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole?
The IUPAC name of 1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole (CID 134125631) is 1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole.
What is the SMILES notation for 1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole?
The canonical SMILES for 1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole is Cc1cccc(Cn2nnc3ccccc32)c1-c1ccccc1.
What is the InChIKey of 1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole?
The InChIKey is DSHINWVAFMVQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-15-8-7-11-17(20(15)16-9-3-2-4-10-16)14-23-19-13-6-5-12-18(19)21-22-23/h2-13H,14H2,1H3.
What are the key properties of 1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole?
1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole has a molecular weight of 299.38 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole is sourced from PubChem (CID 134125631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).