2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid

C16H21N3O2 — CID 82310922

IUPAC2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid
SMILESCc1ccc2c(c1)nc(C(C)N1CCCC1)n2CC(=O)O
InChIInChI=1S/C16H21N3O2/c1-11-5-6-14-13(9-11)17-16(19(14)10-15(20)21)12(2)18-7-3-4-8-18/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,20,21)
InChIKeyCVYFQZVHHHCVCX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.59
Rot. Bonds4

About 2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid

2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid (PubChem CID 82310922) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid
PubChem CID82310922
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid
SMILESCc1ccc2c(c1)nc(C(C)N1CCCC1)n2CC(=O)O
InChIInChI=1S/C16H21N3O2/c1-11-5-6-14-13(9-11)17-16(19(14)10-15(20)21)12(2)18-7-3-4-8-18/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,20,21)
InChIKeyCVYFQZVHHHCVCX-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid
CID 84786090
2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid
CID 83972340
2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile
CID 82311223
2-(5-propanoyl-2-propan-2-ylbenzimidazol-1-yl)acetic acid
CID 94743145
1-[4-(2,5-dimethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885088
2-(2,6-dimethylbenzimidazol-1-yl)acetic acid
CID 84777822
2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 62337121
1-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
CID 82332995
2-[2-[[carboxymethyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetic acid
CID 82310904
2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile
CID 82311237
2-[1-(azepan-1-yl)ethyl]-1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazole
CID 18885294
2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 46480250

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid (CID 82310922) is 2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid is Cc1ccc2c(c1)nc(C(C)N1CCCC1)n2CC(=O)O.
What is the InChIKey of 2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid?
The InChIKey is CVYFQZVHHHCVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-5-6-14-13(9-11)17-16(19(14)10-15(20)21)12(2)18-7-3-4-8-18/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid?
2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 82310922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).