2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide

C25H21ClN6O2 — CID 171770306

IUPAC2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
SMILESCOc1cc(Cl)cc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(-c3cnc[nH]3)cc2)c1
InChIInChI=1S/C25H21ClN6O2/c1-34-21-11-17(10-19(26)12-21)14-31(20-8-6-18(7-9-20)23-13-27-16-28-23)25(33)15-32-24-5-3-2-4-22(24)29-30-32/h2-13,16H,14-15H2,1H3,(H,27,28)
InChIKeyMWKGUZGGDZDJNS-UHFFFAOYSA-N
MW472.94 g/mol
LogP4.72
Rot. Bonds7

About 2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide

2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide (PubChem CID 171770306) has the molecular formula C25H21ClN6O2 and a molecular weight of 472.94 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
PubChem CID171770306
Molecular FormulaC25H21ClN6O2
Molecular Weight472.94 g/mol
Exact Mass472.14
IUPAC Name2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
SMILESCOc1cc(Cl)cc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(-c3cnc[nH]3)cc2)c1
InChIInChI=1S/C25H21ClN6O2/c1-34-21-11-17(10-19(26)12-21)14-31(20-8-6-18(7-9-20)23-13-27-16-28-23)25(33)15-32-24-5-3-2-4-22(24)29-30-32/h2-13,16H,14-15H2,1H3,(H,27,28)
InChIKeyMWKGUZGGDZDJNS-UHFFFAOYSA-N
XLogP4.72
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.94
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzotriazol-1-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 171770171
N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]-2-isoquinolin-4-ylacetamide
CID 166537943
2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 175635820
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide
CID 171770253
2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)-3,3,3-trifluoro-2-hydroxypropyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 175635827
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 171770305
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide
CID 171770241
2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 169091805
2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide
CID 171770212
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(5-oxopyrrolidin-3-yl)phenyl]acetamide
CID 171770290
2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 51189023
N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methyl]-N-[4-(1H-imidazol-5-yl)phenyl]-2-isoquinolin-4-ylacetamide
CID 166537899

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide (CID 171770306) is 2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide is COc1cc(Cl)cc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(-c3cnc[nH]3)cc2)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide?
The InChIKey is MWKGUZGGDZDJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN6O2/c1-34-21-11-17(10-19(26)12-21)14-31(20-8-6-18(7-9-20)23-13-27-16-28-23)25(33)15-32-24-5-3-2-4-22(24)29-30-32/h2-13,16H,14-15H2,1H3,(H,27,28).
What are the key properties of 2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide?
2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide has a molecular weight of 472.94 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 171770306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).