1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid

C16H21N3O2 — CID 82336575

IUPAC1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCc1cc2nc(C(C)N3CCCC3C(=O)O)[nH]c2cc1C
InChIInChI=1S/C16H21N3O2/c1-9-7-12-13(8-10(9)2)18-15(17-12)11(3)19-6-4-5-14(19)16(20)21/h7-8,11,14H,4-6H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyVZJAIBGHHOHFHV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.79
Rot. Bonds3

About 1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid

1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 82336575) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID82336575
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCc1cc2nc(C(C)N3CCCC3C(=O)O)[nH]c2cc1C
InChIInChI=1S/C16H21N3O2/c1-9-7-12-13(8-10(9)2)18-15(17-12)11(3)19-6-4-5-14(19)16(20)21/h7-8,11,14H,4-6H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyVZJAIBGHHOHFHV-UHFFFAOYSA-N
XLogP2.79
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid
CID 84614239
1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 4203254
methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate
CID 115926140
1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 3972842
1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid
CID 107707800
(2S)-1-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838455
(2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838450
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 3931904
1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 110185971
(2S)-1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838452
1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid
CID 65056078
(2R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]piperidine-2-carboxylic acid
CID 97175615

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid (CID 82336575) is 1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid is Cc1cc2nc(C(C)N3CCCC3C(=O)O)[nH]c2cc1C.
What is the InChIKey of 1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VZJAIBGHHOHFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-9-7-12-13(8-10(9)2)18-15(17-12)11(3)19-6-4-5-14(19)16(20)21/h7-8,11,14H,4-6H2,1-3H3,(H,17,18)(H,20,21).
What are the key properties of 1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82336575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).