1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid

C18H22N4O3 — CID 122005626

IUPAC1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2nccn2CCc2ccccc2)C1
InChIInChI=1S/C18H22N4O3/c23-17(24)15-7-10-22(13-15)18(25)20-12-16-19-8-11-21(16)9-6-14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,20,25)(H,23,24)
InChIKeyNSLCNIWOVWWKPE-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.74
Rot. Bonds6

About 1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid

1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122005626) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122005626
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2nccn2CCc2ccccc2)C1
InChIInChI=1S/C18H22N4O3/c23-17(24)15-7-10-22(13-15)18(25)20-12-16-19-8-11-21(16)9-6-14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,20,25)(H,23,24)
InChIKeyNSLCNIWOVWWKPE-UHFFFAOYSA-N
XLogP1.74
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005629
1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005640
4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid
CID 146133770
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-sulfamoylpyrrolidine-1-carboxamide
CID 86807593
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71975541
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898678
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 96970148
(3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 96995653
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119898701
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898680

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 122005626) is 1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)NCc2nccn2CCc2ccccc2)C1.
What is the InChIKey of 1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NSLCNIWOVWWKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17(24)15-7-10-22(13-15)18(25)20-12-16-19-8-11-21(16)9-6-14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,20,25)(H,23,24).
What are the key properties of 1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid?
1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122005626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).