1-(5-chloro-1,1-diphenylpentyl)benzotriazole

C23H22ClN3 — CID 3848706

IUPAC1-(5-chloro-1,1-diphenylpentyl)benzotriazole
SMILESClCCCCC(c1ccccc1)(c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C23H22ClN3/c24-18-10-9-17-23(19-11-3-1-4-12-19,20-13-5-2-6-14-20)27-22-16-8-7-15-21(22)25-26-27/h1-8,11-16H,9-10,17-18H2
InChIKeyFKBVLMHJRKQWLR-UHFFFAOYSA-N
MW375.90 g/mol
LogP5.63
Rot. Bonds7

About 1-(5-chloro-1,1-diphenylpentyl)benzotriazole

1-(5-chloro-1,1-diphenylpentyl)benzotriazole (PubChem CID 3848706) has the molecular formula C23H22ClN3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-(5-chloro-1,1-diphenylpentyl)benzotriazole.

Molecular Properties

Compound Name1-(5-chloro-1,1-diphenylpentyl)benzotriazole
PubChem CID3848706
Molecular FormulaC23H22ClN3
Molecular Weight375.90 g/mol
Exact Mass375.15
IUPAC Name1-(5-chloro-1,1-diphenylpentyl)benzotriazole
SMILESClCCCCC(c1ccccc1)(c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C23H22ClN3/c24-18-10-9-17-23(19-11-3-1-4-12-19,20-13-5-2-6-14-20)27-22-16-8-7-15-21(22)25-26-27/h1-8,11-16H,9-10,17-18H2
InChIKeyFKBVLMHJRKQWLR-UHFFFAOYSA-N
XLogP5.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloropropyl)benzotriazole
CID 5243938
[[4-[(1R)-1-(benzotriazol-1-yl)-2-[4-[difluoro(phosphono)methyl]phenyl]-1-phenylethyl]phenyl]-difluoromethyl]phosphonic acid
CID 171351567
2-(benzotriazol-1-yl)-2,2-difluoroethanol
CID 118312748
5-(4-chlorobutyl)-1-trityltetrazole
CID 15342786
1-(8-ethenylpentadecan-8-yl)benzotriazole
CID 5197931
1-[8-(benzotriazol-1-yl)-3,8-diethoxydeca-1,9-dien-3-yl]benzotriazole
CID 3772019
2-(benzotriazol-1-yl)-2-methylpentanoic acid
CID 114993659
2-(benzotriazol-1-yl)-2-ethylbutanoic acid
CID 82152137
1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole
CID 4311537
1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine
CID 70885057
1-(2-methyl-3-phenylsulfanylheptan-3-yl)benzotriazole
CID 3803458
1-(4-chloro-1,1-diphenylbutyl)piperazine;dihydrochloride
CID 175177485

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,1-diphenylpentyl)benzotriazole?
The IUPAC name of 1-(5-chloro-1,1-diphenylpentyl)benzotriazole (CID 3848706) is 1-(5-chloro-1,1-diphenylpentyl)benzotriazole.
What is the SMILES notation for 1-(5-chloro-1,1-diphenylpentyl)benzotriazole?
The canonical SMILES for 1-(5-chloro-1,1-diphenylpentyl)benzotriazole is ClCCCCC(c1ccccc1)(c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of 1-(5-chloro-1,1-diphenylpentyl)benzotriazole?
The InChIKey is FKBVLMHJRKQWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3/c24-18-10-9-17-23(19-11-3-1-4-12-19,20-13-5-2-6-14-20)27-22-16-8-7-15-21(22)25-26-27/h1-8,11-16H,9-10,17-18H2.
What are the key properties of 1-(5-chloro-1,1-diphenylpentyl)benzotriazole?
1-(5-chloro-1,1-diphenylpentyl)benzotriazole has a molecular weight of 375.90 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,1-diphenylpentyl)benzotriazole is sourced from PubChem (CID 3848706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).