3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide

C17H18N4O — CID 53014035

IUPAC3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCc2ccc3c(c2)nnn3C)c1
InChIInChI=1S/C17H18N4O/c1-11-6-12(2)8-14(7-11)17(22)18-10-13-4-5-16-15(9-13)19-20-21(16)3/h4-9H,10H2,1-3H3,(H,18,22)
InChIKeyWHGBXWOHIHMXLX-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.52
Rot. Bonds3

About 3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide

3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide (PubChem CID 53014035) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide
PubChem CID53014035
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCc2ccc3c(c2)nnn3C)c1
InChIInChI=1S/C17H18N4O/c1-11-6-12(2)8-14(7-11)17(22)18-10-13-4-5-16-15(9-13)19-20-21(16)3/h4-9H,10H2,1-3H3,(H,18,22)
InChIKeyWHGBXWOHIHMXLX-UHFFFAOYSA-N
XLogP2.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide
CID 53051567
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
N-butyl-1-methylbenzotriazole-5-carboxamide
CID 71933405
N-(3-aminopropyl)-1-methylbenzotriazole-5-carboxamide
CID 119404950
N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
CID 119625904
5-ethyl-1-methylbenzotriazole
CID 20678691
2,2-dimethyl-4-[(1-methylbenzotriazol-5-yl)methylamino]butanoic acid
CID 122127016
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
methyl 4-[(1-methylbenzotriazol-5-yl)methylsulfamoyl]benzoate
CID 66837875
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide
CID 110785967
1-[4-(ethylcarbamoyl)-2-[2-(2-fluoroethoxy)ethoxy]phenyl]-N-[(1-methylbenzotriazol-5-yl)methyl]triazole-4-carboxamide
CID 87800280
1-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111176

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide (CID 53014035) is 3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide is Cc1cc(C)cc(C(=O)NCc2ccc3c(c2)nnn3C)c1.
What is the InChIKey of 3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide?
The InChIKey is WHGBXWOHIHMXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-6-12(2)8-14(7-11)17(22)18-10-13-4-5-16-15(9-13)19-20-21(16)3/h4-9H,10H2,1-3H3,(H,18,22).
What are the key properties of 3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide?
3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide has a molecular weight of 294.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide is sourced from PubChem (CID 53014035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).