2-[bis(4-chlorophenyl)methyl]benzotriazole

C19H13Cl2N3 — CID 4518443

IUPAC2-[bis(4-chlorophenyl)methyl]benzotriazole
SMILESClc1ccc(C(c2ccc(Cl)cc2)n2nc3ccccc3n2)cc1
InChIInChI=1S/C19H13Cl2N3/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)24-22-17-3-1-2-4-18(17)23-24/h1-12,19H
InChIKeyOKLKESBUFPBWFM-UHFFFAOYSA-N
MW354.24 g/mol
LogP5.38
Rot. Bonds3

About 2-[bis(4-chlorophenyl)methyl]benzotriazole

2-[bis(4-chlorophenyl)methyl]benzotriazole (PubChem CID 4518443) has the molecular formula C19H13Cl2N3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-[bis(4-chlorophenyl)methyl]benzotriazole.

Molecular Properties

Compound Name2-[bis(4-chlorophenyl)methyl]benzotriazole
PubChem CID4518443
Molecular FormulaC19H13Cl2N3
Molecular Weight354.24 g/mol
Exact Mass353.05
IUPAC Name2-[bis(4-chlorophenyl)methyl]benzotriazole
SMILESClc1ccc(C(c2ccc(Cl)cc2)n2nc3ccccc3n2)cc1
InChIInChI=1S/C19H13Cl2N3/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)24-22-17-3-1-2-4-18(17)23-24/h1-12,19H
InChIKeyOKLKESBUFPBWFM-UHFFFAOYSA-N
XLogP5.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(2,4-Dichlorophenyl)phenyl]methyl]benzotriazole
CID 155518831
1-[[4-(4-Chloro-2-fluorophenyl)phenyl]methyl]benzotriazole
CID 155551721
1-[(4-Chlorophenyl)methyl]-1H-1,2,3-benzotriazole
CID 894883
2-Benzyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazole
CID 76308186
(E)-2-(benzotriazol-2-yl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 6531021
4-(3-Chlorophenyl)-2-[2-(3-chlorophenyl)phenyl]triazole
CID 122188133
2-[(4-Chlorophenyl)methyl]-5-(trifluoromethyl)benzotriazole
CID 127035402
5,6-Dichloro-2-[(4-chlorophenyl)methyl]benzotriazole
CID 127035404
2-Benzyl-5,6-dichloro-benzotriazole
CID 127036489
1-[(4-Chlorophenyl)-phenyl-methyl]benzotriazole
CID 3724229
2-Benzylbenzotriazole
CID 3810549
1-[1,1-Bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole
CID 164686757

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-chlorophenyl)methyl]benzotriazole?
The IUPAC name of 2-[bis(4-chlorophenyl)methyl]benzotriazole (CID 4518443) is 2-[bis(4-chlorophenyl)methyl]benzotriazole.
What is the SMILES notation for 2-[bis(4-chlorophenyl)methyl]benzotriazole?
The canonical SMILES for 2-[bis(4-chlorophenyl)methyl]benzotriazole is Clc1ccc(C(c2ccc(Cl)cc2)n2nc3ccccc3n2)cc1.
What is the InChIKey of 2-[bis(4-chlorophenyl)methyl]benzotriazole?
The InChIKey is OKLKESBUFPBWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)24-22-17-3-1-2-4-18(17)23-24/h1-12,19H.
What are the key properties of 2-[bis(4-chlorophenyl)methyl]benzotriazole?
2-[bis(4-chlorophenyl)methyl]benzotriazole has a molecular weight of 354.24 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-chlorophenyl)methyl]benzotriazole is sourced from PubChem (CID 4518443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).