2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid

C22H27N3O4 — CID 20989989

IUPAC2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid
SMILESCCN(CC)CCOc1cc(-c2nc3ccccc3n2CC(=O)O)ccc1OC
InChIInChI=1S/C22H27N3O4/c1-4-24(5-2)12-13-29-20-14-16(10-11-19(20)28-3)22-23-17-8-6-7-9-18(17)25(22)15-21(26)27/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,26,27)
InChIKeyJFXYKYUJUNOEJY-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.52
Rot. Bonds10

About 2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid

2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid (PubChem CID 20989989) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid
PubChem CID20989989
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid
SMILESCCN(CC)CCOc1cc(-c2nc3ccccc3n2CC(=O)O)ccc1OC
InChIInChI=1S/C22H27N3O4/c1-4-24(5-2)12-13-29-20-14-16(10-11-19(20)28-3)22-23-17-8-6-7-9-18(17)25(22)15-21(26)27/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,26,27)
InChIKeyJFXYKYUJUNOEJY-UHFFFAOYSA-N
XLogP3.52
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic 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

2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20994244
2-[2-(4-butoxy-3-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20993202
2-[2-(3-ethoxy-4-propoxyphenyl)benzimidazol-1-yl]acetic acid
CID 22684801
2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683022
2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid
CID 20984118
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032961
2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid
CID 20989602
2-[2-[4-[3-(dimethylamino)propoxy]phenyl]benzimidazol-1-yl]acetic acid
CID 22684807
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17033004
N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
CID 21391
2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid
CID 106753326

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid (CID 20989989) is 2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid is CCN(CC)CCOc1cc(-c2nc3ccccc3n2CC(=O)O)ccc1OC.
What is the InChIKey of 2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid?
The InChIKey is JFXYKYUJUNOEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-4-24(5-2)12-13-29-20-14-16(10-11-19(20)28-3)22-23-17-8-6-7-9-18(17)25(22)15-21(26)27/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,26,27).
What are the key properties of 2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid?
2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid has a molecular weight of 397.48 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 20989989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).