ethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-1-yl]acetate

C19H20ClN3O2 — CID 10089739

IUPACethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1/c(=N\C)n(Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C19H20ClN3O2/c1-3-25-18(24)13-23-17-7-5-4-6-16(17)22(19(23)21-2)12-14-8-10-15(20)11-9-14/h4-11H,3,12-13H2,1-2H3/b21-19-
InChIKeyAGZWAANCGZYVDT-VZCXRCSSSA-N
MW357.84 g/mol
LogP3.24
Rot. Bonds5

About ethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-1-yl]acetate

ethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-1-yl]acetate (PubChem CID 10089739) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is ethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-1-yl]acetate
PubChem CID10089739
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Nameethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1/c(=N\C)n(Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C19H20ClN3O2/c1-3-25-18(24)13-23-17-7-5-4-6-16(17)22(19(23)21-2)12-14-8-10-15(20)11-9-14/h4-11H,3,12-13H2,1-2H3/b21-19-
InChIKeyAGZWAANCGZYVDT-VZCXRCSSSA-N
XLogP3.24
TPSA48.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-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

ethyl 2-(3-hydroxy-2-oxobenzimidazol-1-yl)acetate
CID 121354507
ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate
CID 4640836
ethyl 2-(2,3-dimethylbenzimidazol-3-ium-1-yl)acetate
CID 3560881
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate
CID 19838821
ethyl 2-[2-[2-(4-chlorophenyl)acetyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
CID 16912332
ethyl 2-[6-[2-(4-chlorophenyl)acetyl]imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 16912371
ethyl 2-[10-[(3,4-difluorophenyl)methyl]-3,4-dioxo-[1,2,4]triazino[4,3-a]benzimidazol-2-yl]acetate
CID 10905752
ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate
CID 2313752
ethyl 2-[2-[2-(4-chlorophenoxy)acetyl]imino-6-ethyl-1,3-benzothiazol-3-yl]acetate
CID 40996729
ethyl 2-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]acetate
CID 23794369
ethyl 2-[2-[2-(4-chlorophenyl)sulfanylacetyl]imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 41102535

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-1-yl]acetate (CID 10089739) is ethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-1-yl]acetate is CCOC(=O)Cn1/c(=N\C)n(Cc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of ethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-1-yl]acetate?
The InChIKey is AGZWAANCGZYVDT-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-3-25-18(24)13-23-17-7-5-4-6-16(17)22(19(23)21-2)12-14-8-10-15(20)11-9-14/h4-11H,3,12-13H2,1-2H3/b21-19-.
What are the key properties of ethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-1-yl]acetate?
ethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-1-yl]acetate has a molecular weight of 357.84 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(4-chlorophenyl)methyl]-2-methyliminobenzimidazol-1-yl]acetate is sourced from PubChem (CID 10089739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).