2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid

C19H21N3O3 — CID 20984118

IUPAC2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid
SMILESCN(C)CCOc1cccc(-c2nc3ccccc3n2CC(=O)O)c1
InChIInChI=1S/C19H21N3O3/c1-21(2)10-11-25-15-7-5-6-14(12-15)19-20-16-8-3-4-9-17(16)22(19)13-18(23)24/h3-9,12H,10-11,13H2,1-2H3,(H,23,24)
InChIKeyUXCQYDUZZHSWGW-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.73
Rot. Bonds7

About 2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid

2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid (PubChem CID 20984118) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid
PubChem CID20984118
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid
SMILESCN(C)CCOc1cccc(-c2nc3ccccc3n2CC(=O)O)c1
InChIInChI=1S/C19H21N3O3/c1-21(2)10-11-25-15-7-5-6-14(12-15)19-20-16-8-3-4-9-17(16)22(19)13-18(23)24/h3-9,12H,10-11,13H2,1-2H3,(H,23,24)
InChIKeyUXCQYDUZZHSWGW-UHFFFAOYSA-N
XLogP2.73
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-[3-(dimethylamino)propoxy]phenyl]benzimidazol-1-yl]acetic acid
CID 22684807
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-[2-[3-[2-(dimethylazaniumyl)ethoxy]phenyl]benzimidazol-1-yl]acetate
CID 42223532
2-[2-[2-[3-(dimethylamino)propoxy]phenyl]benzimidazol-1-yl]acetic acid
CID 20993307
2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid
CID 106753326
2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid
CID 20989989
N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17001798
N,N-diethyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17001793
2-[2-[4-(3,5-dimethylphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683212
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
2-[2-(3-ethoxy-4-propoxyphenyl)benzimidazol-1-yl]acetic acid
CID 22684801
2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20994244

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid (CID 20984118) is 2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid is CN(C)CCOc1cccc(-c2nc3ccccc3n2CC(=O)O)c1.
What is the InChIKey of 2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid?
The InChIKey is UXCQYDUZZHSWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21(2)10-11-25-15-7-5-6-14(12-15)19-20-16-8-3-4-9-17(16)22(19)13-18(23)24/h3-9,12H,10-11,13H2,1-2H3,(H,23,24).
What are the key properties of 2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid?
2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid has a molecular weight of 339.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(dimethylamino)ethoxy]phenyl]benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 20984118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).