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

C16H23N3O2 — CID 82142232

IUPAC2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid
SMILESCC(C)c1nc2cc(CC(=O)O)ccc2n1CCN(C)C
InChIInChI=1S/C16H23N3O2/c1-11(2)16-17-13-9-12(10-15(20)21)5-6-14(13)19(16)8-7-18(3)4/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,21)
InChIKeyBIJAQIHDEPPOEJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.35
Rot. Bonds6

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

2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid (PubChem CID 82142232) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid
PubChem CID82142232
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid
SMILESCC(C)c1nc2cc(CC(=O)O)ccc2n1CCN(C)C
InChIInChI=1S/C16H23N3O2/c1-11(2)16-17-13-9-12(10-15(20)21)5-6-14(13)19(16)8-7-18(3)4/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,21)
InChIKeyBIJAQIHDEPPOEJ-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

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Related Compounds

2-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]acetic acid
CID 94743217
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone
CID 94743219
2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid
CID 82142230
2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333823
2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid
CID 82333901
2-[2-(1-chloroethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334199
N-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773328
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333992
2-(2-pentan-3-yl-1-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142139
3-[3-(dimethylamino)propyl]-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82769309
2-[2-tert-butyl-1-(3-methylbutyl)benzimidazol-5-yl]acetic acid
CID 82142178

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid (CID 82142232) is 2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid is CC(C)c1nc2cc(CC(=O)O)ccc2n1CCN(C)C.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid?
The InChIKey is BIJAQIHDEPPOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)16-17-13-9-12(10-15(20)21)5-6-14(13)19(16)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]-2-propan-2-ylbenzimidazol-5-yl]acetic acid?
2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-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]-2-propan-2-ylbenzimidazol-5-yl]acetic acid is sourced from PubChem (CID 82142232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).