4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid

C18H22N4O4 — CID 146133770

IUPAC4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCc2nccn2CCc2ccccc2)CCO1
InChIInChI=1S/C18H22N4O4/c23-17(24)15-13-22(10-11-26-15)18(25)20-12-16-19-7-9-21(16)8-6-14-4-2-1-3-5-14/h1-5,7,9,15H,6,8,10-13H2,(H,20,25)(H,23,24)
InChIKeyNOVBVMHOFQSGNG-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.12
Rot. Bonds6

About 4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid

4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid (PubChem CID 146133770) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid
PubChem CID146133770
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCc2nccn2CCc2ccccc2)CCO1
InChIInChI=1S/C18H22N4O4/c23-17(24)15-13-22(10-11-26-15)18(25)20-12-16-19-7-9-21(16)8-6-14-4-2-1-3-5-14/h1-5,7,9,15H,6,8,10-13H2,(H,20,25)(H,23,24)
InChIKeyNOVBVMHOFQSGNG-UHFFFAOYSA-N
XLogP1.12
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122005626
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
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
(2R)-2-benzyl-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97336922
(3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 96995653
(2R)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 96570710
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
4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid
CID 104984264
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 96970148

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid (CID 146133770) is 4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)NCc2nccn2CCc2ccccc2)CCO1.
What is the InChIKey of 4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid?
The InChIKey is NOVBVMHOFQSGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c23-17(24)15-13-22(10-11-26-15)18(25)20-12-16-19-7-9-21(16)8-6-14-4-2-1-3-5-14/h1-5,7,9,15H,6,8,10-13H2,(H,20,25)(H,23,24).
What are the key properties of 4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid?
4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 146133770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).