1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide

C24H24N4O — CID 53111293

IUPAC1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide
SMILESCc1ccccc1Cn1nnc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc21
InChIInChI=1S/C24H24N4O/c1-16(2)18-8-11-21(12-9-18)25-24(29)19-10-13-23-22(14-19)26-27-28(23)15-20-7-5-4-6-17(20)3/h4-14,16H,15H2,1-3H3,(H,25,29)
InChIKeyFTBMCYFUWDPLRJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.16
Rot. Bonds5

About 1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide

1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide (PubChem CID 53111293) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide
PubChem CID53111293
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide
SMILESCc1ccccc1Cn1nnc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc21
InChIInChI=1S/C24H24N4O/c1-16(2)18-8-11-21(12-9-18)25-24(29)19-10-13-23-22(14-19)26-27-28(23)15-20-7-5-4-6-17(20)3/h4-14,16H,15H2,1-3H3,(H,25,29)
InChIKeyFTBMCYFUWDPLRJ-UHFFFAOYSA-N
XLogP5.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111252
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111242
N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111228
N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111510
1-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53085070
[1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone
CID 53111281
2-methyl-N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]benzamide
CID 17251708
1-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzotriazole-5-carboxamide
CID 26894071
1-ethyl-N-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzotriazole-5-carboxamide
CID 46296446
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
N-[(2-chlorophenyl)methyl]-1-[3-(4-methylanilino)-3-oxopropyl]benzotriazole-5-carboxamide
CID 50842425
1-[(2-ethylphenyl)methyl]benzotriazole-5-carboxylic acid
CID 64695907

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide?
The IUPAC name of 1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide (CID 53111293) is 1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide is Cc1ccccc1Cn1nnc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc21.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide?
The InChIKey is FTBMCYFUWDPLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16(2)18-8-11-21(12-9-18)25-24(29)19-10-13-23-22(14-19)26-27-28(23)15-20-7-5-4-6-17(20)3/h4-14,16H,15H2,1-3H3,(H,25,29).
What are the key properties of 1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide?
1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide is sourced from PubChem (CID 53111293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).