1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole

C21H16ClN3 — CID 3812930

IUPAC1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole
SMILESC=C(c1ccccc1)C(c1ccc(Cl)cc1)n1nnc2ccccc21
InChIInChI=1S/C21H16ClN3/c1-15(16-7-3-2-4-8-16)21(17-11-13-18(22)14-12-17)25-20-10-6-5-9-19(20)23-24-25/h2-14,21H,1H2
InChIKeyZLLCWKRAYCZOLG-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.39
Rot. Bonds4

About 1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole

1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole (PubChem CID 3812930) has the molecular formula C21H16ClN3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole
PubChem CID3812930
Molecular FormulaC21H16ClN3
Molecular Weight345.83 g/mol
Exact Mass345.10
IUPAC Name1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole
SMILESC=C(c1ccccc1)C(c1ccc(Cl)cc1)n1nnc2ccccc21
InChIInChI=1S/C21H16ClN3/c1-15(16-7-3-2-4-8-16)21(17-11-13-18(22)14-12-17)25-20-10-6-5-9-19(20)23-24-25/h2-14,21H,1H2
InChIKeyZLLCWKRAYCZOLG-UHFFFAOYSA-N
XLogP5.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole
CID 102308449
N-[1,3-bis(benzotriazol-1-yl)butyl]-4-chloroaniline
CID 3657048
N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide
CID 3504481
2-(benzotriazol-1-yl)-2-(4-tert-butylfuran-2-yl)-1-phenylethanone
CID 10737179
1-[2-(benzotriazol-1-yl)-1,2-bis(phenylsulfanyl)ethyl]benzotriazole
CID 3750406
1-[1-(3-chlorophenyl)prop-2-enyl]benzotriazole
CID 102308451
(3S)-3-(benzotriazol-1-yl)-1-phenylbutan-1-one
CID 139190791
N-[1-(benzotriazol-1-yl)ethyl]benzamide
CID 5121940
2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 22270396
2-(benzotriazol-1-yl)-2-(4-methylphenyl)-1-thiophen-2-ylethanone
CID 3425025
[1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone
CID 25270361
1-(benzotriazol-1-yl)propyl benzoate
CID 3780036

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole?
The IUPAC name of 1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole (CID 3812930) is 1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole?
The canonical SMILES for 1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole is C=C(c1ccccc1)C(c1ccc(Cl)cc1)n1nnc2ccccc21.
What is the InChIKey of 1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole?
The InChIKey is ZLLCWKRAYCZOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3/c1-15(16-7-3-2-4-8-16)21(17-11-13-18(22)14-12-17)25-20-10-6-5-9-19(20)23-24-25/h2-14,21H,1H2.
What are the key properties of 1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole?
1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole has a molecular weight of 345.83 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole is sourced from PubChem (CID 3812930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).