3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid

C13H15N3O3 — CID 84638551

IUPAC3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid
SMILESCn1c(=O)n(C2CCNC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C13H15N3O3/c1-15-11-6-8(12(17)18)2-3-10(11)16(13(15)19)9-4-5-14-7-9/h2-3,6,9,14H,4-5,7H2,1H3,(H,17,18)
InChIKeyDGDUUQBHUVIHGP-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.57
Rot. Bonds2

About 3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid

3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid (PubChem CID 84638551) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid
PubChem CID84638551
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid
SMILESCn1c(=O)n(C2CCNC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C13H15N3O3/c1-15-11-6-8(12(17)18)2-3-10(11)16(13(15)19)9-4-5-14-7-9/h2-3,6,9,14H,4-5,7H2,1H3,(H,17,18)
InChIKeyDGDUUQBHUVIHGP-UHFFFAOYSA-N
XLogP0.57
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[(3S)-pyrrolidin-3-yl]benzimidazol-2-one
CID 162422973
9-[(3S)-pyrrolidin-3-yl]carbazole-2-carboxylic acid
CID 59626416
1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one
CID 141196674
6-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262488
1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one
CID 84632027
7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262818
7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262819
4,6-difluoro-3-methyl-1-pyrrolidin-3-ylbenzimidazol-2-one
CID 84634890
5-(12-aminododecyl)-3-methyl-1-piperidin-3-ylbenzimidazol-2-one
CID 171475017
6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one
CID 84640105
5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262113
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 84637794

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid?
The IUPAC name of 3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid (CID 84638551) is 3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid is Cn1c(=O)n(C2CCNC2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid?
The InChIKey is DGDUUQBHUVIHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-15-11-6-8(12(17)18)2-3-10(11)16(13(15)19)9-4-5-14-7-9/h2-3,6,9,14H,4-5,7H2,1H3,(H,17,18).
What are the key properties of 3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid?
3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 84638551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).