2-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]acetamide

C19H18N6O — CID 134376759

IUPAC2-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]acetamide
SMILESNC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2n[nH]nc2c1
InChIInChI=1S/C19H18N6O/c20-19(26)10-18-17(8-13-4-2-1-3-5-13)21-12-25(18)11-14-6-7-15-16(9-14)23-24-22-15/h1-7,9,12H,8,10-11H2,(H2,20,26)(H,22,23,24)
InChIKeyOSSWTLYCOAWQMY-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.82
Rot. Bonds6

About 2-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]acetamide

2-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]acetamide (PubChem CID 134376759) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]acetamide
PubChem CID134376759
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]acetamide
SMILESNC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2n[nH]nc2c1
InChIInChI=1S/C19H18N6O/c20-19(26)10-18-17(8-13-4-2-1-3-5-13)21-12-25(18)11-14-6-7-15-16(9-14)23-24-22-15/h1-7,9,12H,8,10-11H2,(H2,20,26)(H,22,23,24)
InChIKeyOSSWTLYCOAWQMY-UHFFFAOYSA-N
XLogP1.82
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-benzyl-3-(1H-indazol-5-ylmethyl)imidazol-4-yl]acetamide
CID 134376861
2-[5-benzyl-3-[(2-oxo-3H-1,3-benzothiazol-5-yl)methyl]imidazol-4-yl]acetamide
CID 134376802
3-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]aniline
CID 157330258
CID 159681169
CID 159681169
7-[[5-(2-aminoprop-2-enyl)-4-benzylimidazol-1-yl]methyl]-3H-1,3-benzothiazol-2-one
CID 157287435
3-[[5-(2-amino-3,3-difluorobutyl)-4-benzylimidazol-1-yl]methyl]phenol
CID 159562587
4-amino-1-(2H-benzotriazol-5-yl)butan-2-one
CID 58055870
3-[[5-(2-aminoprop-2-enyl)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-1-yl]methyl]phenol;4-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]butan-2-one;3-[[4-benzyl-5-(2-methylpropyl)imidazol-1-yl]methyl]phenol;2-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]acetamide;4-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]butan-2-one;3-[[5-(2-hydroxypropyl)-4-(5-methyl-1H-pyrazol-4-yl)imidazol-1-yl]methyl]phenol
CID 160849119
2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide
CID 146281567
2-[3-[(3-acetamidophenyl)methyl]-5-benzylimidazol-4-yl]acetamide;bis(2-[5-benzyl-3-[[3-(methanesulfonamido)phenyl]methyl]imidazol-4-yl]acetamide);N-ethyl-2-[3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenyl]acetamide;methyl N-[3-[[5-(2-amino-2-oxoethyl)-4-benzylimidazol-1-yl]methyl]phenyl]carbamate;bis(1-[3-[[3-[(methyl-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol);1-[3-[[3-(2-methylprop-2-enyl)phenyl]methyl]-5-phenylimidazol-4-yl]propan-2-ol
CID 157184737
3-(benzimidazol-1-ylmethyl)benzenecarbothioamide
CID 24703468
2H-benzotriazol-5-ylmethyl (2S)-2-ethoxy-2-phenylacetate
CID 95311717

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]acetamide?
The IUPAC name of 2-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]acetamide (CID 134376759) is 2-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]acetamide.
What is the SMILES notation for 2-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]acetamide?
The canonical SMILES for 2-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]acetamide is NC(=O)Cc1c(Cc2ccccc2)ncn1Cc1ccc2n[nH]nc2c1.
What is the InChIKey of 2-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]acetamide?
The InChIKey is OSSWTLYCOAWQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c20-19(26)10-18-17(8-13-4-2-1-3-5-13)21-12-25(18)11-14-6-7-15-16(9-14)23-24-22-15/h1-7,9,12H,8,10-11H2,(H2,20,26)(H,22,23,24).
What are the key properties of 2-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]acetamide?
2-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2H-benzotriazol-5-ylmethyl)-5-benzylimidazol-4-yl]acetamide is sourced from PubChem (CID 134376759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).