5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid

C13H15N3O2 — CID 117364996

IUPAC5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid
SMILESCn1cnc2cccc(C3CC(C(=O)O)CN3)c21
InChIInChI=1S/C13H15N3O2/c1-16-7-15-10-4-2-3-9(12(10)16)11-5-8(6-14-11)13(17)18/h2-4,7-8,11,14H,5-6H2,1H3,(H,17,18)
InChIKeyFRAJSJVJNAPUFD-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.31
Rot. Bonds2

About 5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid

5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117364996) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID117364996
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid
SMILESCn1cnc2cccc(C3CC(C(=O)O)CN3)c21
InChIInChI=1S/C13H15N3O2/c1-16-7-15-10-4-2-3-9(12(10)16)11-5-8(6-14-11)13(17)18/h2-4,7-8,11,14H,5-6H2,1H3,(H,17,18)
InChIKeyFRAJSJVJNAPUFD-UHFFFAOYSA-N
XLogP1.31
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid
CID 117368051
5-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117467672
5-(3-hydroxy-2-methylsulfanylphenyl)pyrrolidine-3-carboxylic acid
CID 117386436
5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117405342
5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117361084
5-[2,3-bis(methylsulfanyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117455786
5-(3-methyl-1,2-benzothiazol-4-yl)pyrrolidine-3-carboxylic acid
CID 117410499
5-(1,2-benzoxazol-7-yl)pyrrolidine-3-carboxylic acid
CID 117336090
5-(1H-indazol-7-yl)pyrrolidine-3-carboxylic acid
CID 117334024
5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid
CID 117442644
5-[2-[1-(methoxymethyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid
CID 117117011
5-isoquinolin-5-ylpyrrolidine-3-carboxylic acid
CID 117357645

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid (CID 117364996) is 5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid is Cn1cnc2cccc(C3CC(C(=O)O)CN3)c21.
What is the InChIKey of 5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is FRAJSJVJNAPUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16-7-15-10-4-2-3-9(12(10)16)11-5-8(6-14-11)13(17)18/h2-4,7-8,11,14H,5-6H2,1H3,(H,17,18).
What are the key properties of 5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid?
5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117364996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).