N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide

C23H22N4O — CID 53111478

IUPACN-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
SMILESCc1ccc(Cn2nnc3cc(C(=O)Nc4cc(C)ccc4C)ccc32)cc1
InChIInChI=1S/C23H22N4O/c1-15-5-8-18(9-6-15)14-27-22-11-10-19(13-21(22)25-26-27)23(28)24-20-12-16(2)4-7-17(20)3/h4-13H,14H2,1-3H3,(H,24,28)
InChIKeyYVSUCEGVDAGWOR-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.66
Rot. Bonds4

About N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide

N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide (PubChem CID 53111478) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
PubChem CID53111478
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
SMILESCc1ccc(Cn2nnc3cc(C(=O)Nc4cc(C)ccc4C)ccc32)cc1
InChIInChI=1S/C23H22N4O/c1-15-5-8-18(9-6-15)14-27-22-11-10-19(13-21(22)25-26-27)23(28)24-20-12-16(2)4-7-17(20)3/h4-13H,14H2,1-3H3,(H,24,28)
InChIKeyYVSUCEGVDAGWOR-UHFFFAOYSA-N
XLogP4.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111510
N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111456
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111242
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111501
4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide
CID 8872279
1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
CID 26709742
1-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111176
N-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111468
3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-methylphenyl)methyl]benzotriazol-5-yl]methanone
CID 53111474
N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53007704
N-ethyl-1-[(4-fluorophenyl)methyl]benzotriazole-5-carboxamide
CID 53111432
N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111154

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide (CID 53111478) is N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide is Cc1ccc(Cn2nnc3cc(C(=O)Nc4cc(C)ccc4C)ccc32)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
The InChIKey is YVSUCEGVDAGWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15-5-8-18(9-6-15)14-27-22-11-10-19(13-21(22)25-26-27)23(28)24-20-12-16(2)4-7-17(20)3/h4-13H,14H2,1-3H3,(H,24,28).
What are the key properties of N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide?
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 53111478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).