1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid

C15H19N3O2 — CID 115543263

IUPAC1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid
SMILESCC(CN1CCCC1)n1cnc2c(C(=O)O)cccc21
InChIInChI=1S/C15H19N3O2/c1-11(9-17-7-2-3-8-17)18-10-16-14-12(15(19)20)5-4-6-13(14)18/h4-6,10-11H,2-3,7-9H2,1H3,(H,19,20)
InChIKeyNJNRTXZOOSTOLJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.39
Rot. Bonds4

About 1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid

1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid (PubChem CID 115543263) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid
PubChem CID115543263
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid
SMILESCC(CN1CCCC1)n1cnc2c(C(=O)O)cccc21
InChIInChI=1S/C15H19N3O2/c1-11(9-17-7-2-3-8-17)18-10-16-14-12(15(19)20)5-4-6-13(14)18/h4-6,10-11H,2-3,7-9H2,1H3,(H,19,20)
InChIKeyNJNRTXZOOSTOLJ-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazole-4-carboxylic acid
CID 115543574
1-(1-piperidin-1-ylpropan-2-yl)benzotriazole-4-carboxylic acid
CID 115541776
1-pentan-3-ylbenzimidazole-4-carboxylic acid
CID 115542982
1-[(2R)-1-hydroxy-3-methylbutan-2-yl]benzimidazole-4-carboxylic acid
CID 115543869
1-[1-(ethylamino)-1-oxopropan-2-yl]benzimidazole-4-carboxylic acid
CID 113332225
1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid
CID 115543091
1-(2,2-difluoroethyl)benzimidazole-4-carboxylic acid
CID 115543983
1-[(1-methylcyclobutyl)methyl]benzimidazole-4-carboxylic acid
CID 114109191
1-(4-methylpiperazin-1-yl)benzimidazole-4-carboxylic acid
CID 83019459
2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 62232558
1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114137775
1-[(2-hydroxycyclopentyl)methyl]benzimidazole-4-carboxylic acid
CID 115543820

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid (CID 115543263) is 1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid is CC(CN1CCCC1)n1cnc2c(C(=O)O)cccc21.
What is the InChIKey of 1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid?
The InChIKey is NJNRTXZOOSTOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(9-17-7-2-3-8-17)18-10-16-14-12(15(19)20)5-4-6-13(14)18/h4-6,10-11H,2-3,7-9H2,1H3,(H,19,20).
What are the key properties of 1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid?
1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).