3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid

C20H21ClN2O3 — CID 3072208

IUPAC3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid
SMILESCCOc1ccc(Cc2nc3cc(Cl)ccc3n2C(C)CC(=O)O)cc1
InChIInChI=1S/C20H21ClN2O3/c1-3-26-16-7-4-14(5-8-16)11-19-22-17-12-15(21)6-9-18(17)23(19)13(2)10-20(24)25/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,25)
InChIKeyROVIZWJYQYAZBG-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.71
Rot. Bonds7

About 3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid

3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid (PubChem CID 3072208) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid
PubChem CID3072208
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid
SMILESCCOc1ccc(Cc2nc3cc(Cl)ccc3n2C(C)CC(=O)O)cc1
InChIInChI=1S/C20H21ClN2O3/c1-3-26-16-7-4-14(5-8-16)11-19-22-17-12-15(21)6-9-18(17)23(19)13(2)10-20(24)25/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,25)
InChIKeyROVIZWJYQYAZBG-UHFFFAOYSA-N
XLogP4.71
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid 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

Etodesnitazene
CID 149797386
5-chloro-2-{4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1H-1,3-benzodiazole
CID 11451949
2-Methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole
CID 790960
3-(2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)propanoic acid
CID 2857161
2-((4-chlorophenoxy)methyl)-1-phenethyl-1H-benzo[d]imidazole
CID 1260808
3-[2-(2-p-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid
CID 2857621
[1-[3-(4-Methylphenoxy)propyl]-2-benzimidazolyl]methanol
CID 2945948
4-[5-Fluoro-1-(4-methoxy-benzyl)-1H-benzoimidazol-2-yl]-3,3-dimethyl-butyric acid
CID 14953090
4-[5-Chloro-1-(4-methoxy-benzyl)-1H-benzoimidazol-2-yl]-3,3-dimethyl-butyric acid
CID 14953097
4-[1-(4-Methoxybenzyl)benzimidazol-2-yl]-3,3-dimethylbutanoic acid
CID 14953103
4-(4-{3-[2-(4-Chloro-phenoxymethyl)-4-methyl-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-butyric acid ethyl ester
CID 21188717
Phenyl-1,2-dihydro-3-hydroxypyrido(1,2-a)benzimidazole-4-carboxylate
CID 135407194

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid?
The IUPAC name of 3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid (CID 3072208) is 3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid.
What is the SMILES notation for 3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid?
The canonical SMILES for 3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid is CCOc1ccc(Cc2nc3cc(Cl)ccc3n2C(C)CC(=O)O)cc1.
What is the InChIKey of 3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid?
The InChIKey is ROVIZWJYQYAZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-3-26-16-7-4-14(5-8-16)11-19-22-17-12-15(21)6-9-18(17)23(19)13(2)10-20(24)25/h4-9,12-13H,3,10-11H2,1-2H3,(H,24,25).
What are the key properties of 3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid?
3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid has a molecular weight of 372.85 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butanoic acid is sourced from PubChem (CID 3072208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).