(2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

C18H23N5O2 — CID 97326653

IUPAC(2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@H]1CCCN1C(=O)N[C@@H](Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C18H23N5O2/c1-19-17(24)15-8-5-11-23(15)18(25)22-14(12-16-20-9-10-21-16)13-6-3-2-4-7-13/h2-4,6-7,9-10,14-15H,5,8,11-12H2,1H3,(H,19,24)(H,20,21)(H,22,25)/t14-,15+/m0/s1
InChIKeyKOMNLUDTQHDZMQ-LSDHHAIUSA-N
MW341.41 g/mol
LogP1.61
Rot. Bonds5

About (2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

(2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 97326653) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
PubChem CID97326653
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name(2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)[C@H]1CCCN1C(=O)N[C@@H](Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C18H23N5O2/c1-19-17(24)15-8-5-11-23(15)18(25)22-14(12-16-20-9-10-21-16)13-6-3-2-4-7-13/h2-4,6-7,9-10,14-15H,5,8,11-12H2,1H3,(H,19,24)(H,20,21)(H,22,25)/t14-,15+/m0/s1
InChIKeyKOMNLUDTQHDZMQ-LSDHHAIUSA-N
XLogP1.61
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide
CID 17498145
1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 60953274
(2R)-1-N-(2,2-diphenylethyl)-2-N-methylpiperidine-1,2-dicarboxamide
CID 126433792
1-(3-amino-3-phenylpropanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60953494
1-N-[cyclopentyl(pyridin-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 84589898
1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 134541281
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 60570248
[(2S)-1-[(2S)-2-[[(1S)-1,2-diphenylethyl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]azanium dichloride
CID 158486076
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 17458112
N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 97066738

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (CID 97326653) is (2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is CNC(=O)[C@H]1CCCN1C(=O)N[C@@H](Cc1ncc[nH]1)c1ccccc1.
What is the InChIKey of (2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is KOMNLUDTQHDZMQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-19-17(24)15-8-5-11-23(15)18(25)22-14(12-16-20-9-10-21-16)13-6-3-2-4-7-13/h2-4,6-7,9-10,14-15H,5,8,11-12H2,1H3,(H,19,24)(H,20,21)(H,22,25)/t14-,15+/m0/s1.
What are the key properties of (2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
(2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 97326653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).