methyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate

C19H17N5O2 — CID 158932798

IUPACmethyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate
SMILESCOC(=O)Cn1nnc2cc(C3=NCC(c4ccccc4C)=N3)ccc21
InChIInChI=1S/C19H17N5O2/c1-12-5-3-4-6-14(12)16-10-20-19(21-16)13-7-8-17-15(9-13)22-23-24(17)11-18(25)26-2/h3-9H,10-11H2,1-2H3
InChIKeyJJGWQNFBBSXUQN-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.16
Rot. Bonds4

About methyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate

methyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate (PubChem CID 158932798) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is methyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate
PubChem CID158932798
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Namemethyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate
SMILESCOC(=O)Cn1nnc2cc(C3=NCC(c4ccccc4C)=N3)ccc21
InChIInChI=1S/C19H17N5O2/c1-12-5-3-4-6-14(12)16-10-20-19(21-16)13-7-8-17-15(9-13)22-23-24(17)11-18(25)26-2/h3-9H,10-11H2,1-2H3
InChIKeyJJGWQNFBBSXUQN-UHFFFAOYSA-N
XLogP2.16
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate 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

1-cyclopropyl-5-[2-(2-methylphenyl)-4H-imidazol-5-yl]benzotriazole
CID 156522165
5-[5-(2-bromophenyl)-4H-imidazol-2-yl]-1-(pyridin-4-ylmethyl)benzotriazole
CID 168858185
ethyl 2-(5-methylbenzotriazol-1-yl)acetate
CID 71658803
methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate
CID 15007346
1-[[3-[5-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]-4H-imidazol-2-yl]phenyl]methyl-methylamino]propan-2-one
CID 70843346
ethyl 2-[5-[(3-propan-2-ylquinoxalin-2-yl)amino]benzotriazol-1-yl]acetate
CID 139233658
3-[2-(benzotriazol-1-yl)acetyl]oxypropyl 2-(benzotriazol-1-yl)acetate
CID 55567943
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 3197881
methyl N-[2-[[[2-(benzotriazol-1-yl)acetyl]amino]carbamoylamino]ethyl]carbamate
CID 166386173
methyl 4-(benzotriazol-1-yl)-2,2-dimethyl-3-oxobutanoate
CID 112752297
(4-acetamidophenyl) 2-(benzotriazol-1-yl)acetate
CID 51189087
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate?
The IUPAC name of methyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate (CID 158932798) is methyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate is COC(=O)Cn1nnc2cc(C3=NCC(c4ccccc4C)=N3)ccc21.
What is the InChIKey of methyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate?
The InChIKey is JJGWQNFBBSXUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-5-3-4-6-14(12)16-10-20-19(21-16)13-7-8-17-15(9-13)22-23-24(17)11-18(25)26-2/h3-9H,10-11H2,1-2H3.
What are the key properties of methyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate?
methyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate has a molecular weight of 347.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[5-(2-methylphenyl)-4H-imidazol-2-yl]benzotriazol-1-yl]acetate is sourced from PubChem (CID 158932798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).