3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid

C15H17N3O2 — CID 115933176

IUPAC3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2ncn(C3CCN(C4CC4)C3)c12
InChIInChI=1S/C15H17N3O2/c19-15(20)12-2-1-3-13-14(12)18(9-16-13)11-6-7-17(8-11)10-4-5-10/h1-3,9-11H,4-8H2,(H,19,20)
InChIKeyYEWWIIDOYSJIEC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.14
Rot. Bonds3

About 3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid

3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid (PubChem CID 115933176) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
PubChem CID115933176
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2ncn(C3CCN(C4CC4)C3)c12
InChIInChI=1S/C15H17N3O2/c19-15(20)12-2-1-3-13-14(12)18(9-16-13)11-6-7-17(8-11)10-4-5-10/h1-3,9-11H,4-8H2,(H,19,20)
InChIKeyYEWWIIDOYSJIEC-UHFFFAOYSA-N
XLogP2.14
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1H-inden-2-yl)benzimidazole-4-carboxylic acid
CID 107849976
3-cyclopropyl-N-methylbenzimidazole-4-carboxamide
CID 67433023
3-(1-methyl-2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115933547
3-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carboxylic acid
CID 115933499
3-(1-cyclopropylethyl)benzimidazole-4-carboxylic acid
CID 112577152
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)benzimidazole-4-carboxylic acid
CID 115543965
3-[(1,1-dioxothiolan-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 115933261
1-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543746
1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543201
3-(2-iodophenyl)benzimidazole-4-carboxylic acid
CID 112577044
3-(thiolan-3-ylmethyl)benzimidazole-4-carboxylic acid
CID 107297656
3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid
CID 68611173

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid?
The IUPAC name of 3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid (CID 115933176) is 3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid is O=C(O)c1cccc2ncn(C3CCN(C4CC4)C3)c12.
What is the InChIKey of 3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid?
The InChIKey is YEWWIIDOYSJIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(20)12-2-1-3-13-14(12)18(9-16-13)11-6-7-17(8-11)10-4-5-10/h1-3,9-11H,4-8H2,(H,19,20).
What are the key properties of 3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid?
3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpyrrolidin-3-yl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115933176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).