5-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid

C14H17N3O2 — CID 117401895

IUPAC5-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccccc2N2C=NCC2)C1
InChIInChI=1S/C14H17N3O2/c18-14(19)10-7-12(16-8-10)11-3-1-2-4-13(11)17-6-5-15-9-17/h1-4,9-10,12,16H,5-8H2,(H,18,19)
InChIKeyFNRPVFRLRLCIHH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.27
Rot. Bonds3

About 5-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid

5-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 117401895) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
PubChem CID117401895
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccccc2N2C=NCC2)C1
InChIInChI=1S/C14H17N3O2/c18-14(19)10-7-12(16-8-10)11-3-1-2-4-13(11)17-6-5-15-9-17/h1-4,9-10,12,16H,5-8H2,(H,18,19)
InChIKeyFNRPVFRLRLCIHH-UHFFFAOYSA-N
XLogP1.27
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117405342
5-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117401897
5-[2-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117467672
5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117361084
5-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine-3-carboxylic acid
CID 82623130
5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid
CID 117368051
5-(3-methylbenzimidazol-4-yl)pyrrolidine-3-carboxylic acid
CID 117364996
5-[2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid
CID 117442644
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-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 117407354
5-isoquinolin-5-ylpyrrolidine-3-carboxylic acid
CID 117357645

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid (CID 117401895) is 5-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2ccccc2N2C=NCC2)C1.
What is the InChIKey of 5-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is FNRPVFRLRLCIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-14(19)10-7-12(16-8-10)11-3-1-2-4-13(11)17-6-5-15-9-17/h1-4,9-10,12,16H,5-8H2,(H,18,19).
What are the key properties of 5-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid?
5-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117401895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).