1-benzyl-7-(2-methylphenyl)benzotriazole

C20H17N3 — CID 177481285

IUPAC1-benzyl-7-(2-methylphenyl)benzotriazole
SMILESCc1ccccc1-c1cccc2nnn(Cc3ccccc3)c12
InChIInChI=1S/C20H17N3/c1-15-8-5-6-11-17(15)18-12-7-13-19-20(18)23(22-21-19)14-16-9-3-2-4-10-16/h2-13H,14H2,1H3
InChIKeyQOOYSXNTLLKEQC-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.46
Rot. Bonds3

About 1-benzyl-7-(2-methylphenyl)benzotriazole

1-benzyl-7-(2-methylphenyl)benzotriazole (PubChem CID 177481285) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-benzyl-7-(2-methylphenyl)benzotriazole.

Molecular Properties

Compound Name1-benzyl-7-(2-methylphenyl)benzotriazole
PubChem CID177481285
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name1-benzyl-7-(2-methylphenyl)benzotriazole
SMILESCc1ccccc1-c1cccc2nnn(Cc3ccccc3)c12
InChIInChI=1S/C20H17N3/c1-15-8-5-6-11-17(15)18-12-7-13-19-20(18)23(22-21-19)14-16-9-3-2-4-10-16/h2-13H,14H2,1H3
InChIKeyQOOYSXNTLLKEQC-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-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline
CID 102583421
1-benzyl-5-(2-methylphenyl)-4-phenyltriazole
CID 101446629
1-benzyl-4-butyl-5-(2-methylphenyl)triazole
CID 102474944
[1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane
CID 68990322
1-benzyl-7-methylbenzimidazole
CID 10933051
3-[(4-chlorophenyl)methyl]benzotriazole-4-carbaldehyde
CID 88564897
1-[(4-chlorophenyl)methyl]benzotriazole
CID 894883
4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 4985670
N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 47076292
1-benzyl-5-naphthalen-1-yl-4-phenyltriazole
CID 102474946
3-(1-benzyltetrazol-5-yl)-2-methylaniline
CID 61353888
1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole
CID 134125631

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-(2-methylphenyl)benzotriazole?
The IUPAC name of 1-benzyl-7-(2-methylphenyl)benzotriazole (CID 177481285) is 1-benzyl-7-(2-methylphenyl)benzotriazole.
What is the SMILES notation for 1-benzyl-7-(2-methylphenyl)benzotriazole?
The canonical SMILES for 1-benzyl-7-(2-methylphenyl)benzotriazole is Cc1ccccc1-c1cccc2nnn(Cc3ccccc3)c12.
What is the InChIKey of 1-benzyl-7-(2-methylphenyl)benzotriazole?
The InChIKey is QOOYSXNTLLKEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-15-8-5-6-11-17(15)18-12-7-13-19-20(18)23(22-21-19)14-16-9-3-2-4-10-16/h2-13H,14H2,1H3.
What are the key properties of 1-benzyl-7-(2-methylphenyl)benzotriazole?
1-benzyl-7-(2-methylphenyl)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-benzyl-7-(2-methylphenyl)benzotriazole is sourced from PubChem (CID 177481285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).