2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid

C16H23N3O2 — CID 82333901

IUPAC2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid
SMILESCC(C)c1ccc2c(c1)nc(CC(=O)O)n2CCN(C)C
InChIInChI=1S/C16H23N3O2/c1-11(2)12-5-6-14-13(9-12)17-15(10-16(20)21)19(14)8-7-18(3)4/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,21)
InChIKeyZZFOOKJGFDTTPO-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.35
Rot. Bonds6

About 2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid

2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid (PubChem CID 82333901) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid
PubChem CID82333901
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid
SMILESCC(C)c1ccc2c(c1)nc(CC(=O)O)n2CCN(C)C
InChIInChI=1S/C16H23N3O2/c1-11(2)12-5-6-14-13(9-12)17-15(10-16(20)21)19(14)8-7-18(3)4/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,21)
InChIKeyZZFOOKJGFDTTPO-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-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-[1-(3-oxobutyl)-5-propan-2-ylbenzimidazol-2-yl]acetic acid
CID 82333903
2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333974
2-[2-(1-chloroethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334199
2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142232
2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid
CID 82142230
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333992
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine
CID 82334045
3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid
CID 82333910
2-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]acetic acid
CID 94743217
[1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334160
1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone
CID 94743219
2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole
CID 82334173

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid (CID 82333901) is 2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid is CC(C)c1ccc2c(c1)nc(CC(=O)O)n2CCN(C)C.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid?
The InChIKey is ZZFOOKJGFDTTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)12-5-6-14-13(9-12)17-15(10-16(20)21)19(14)8-7-18(3)4/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,21).
What are the key properties of 2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid?
2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid has a molecular weight of 289.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid is sourced from PubChem (CID 82333901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).