N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide

C18H24N4O — CID 124963297

IUPACN-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc([C@H]2CCN(CCc3ccccc3)C2)[nH]1
InChIInChI=1S/C18H24N4O/c1-14(23)19-11-17-12-20-18(21-17)16-8-10-22(13-16)9-7-15-5-3-2-4-6-15/h2-6,12,16H,7-11,13H2,1H3,(H,19,23)(H,20,21)/t16-/m0/s1
InChIKeyHPCQUXBCZFYVFG-INIZCTEOSA-N
MW312.42 g/mol
LogP2.08
Rot. Bonds6

About N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide

N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide (PubChem CID 124963297) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
PubChem CID124963297
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc([C@H]2CCN(CCc3ccccc3)C2)[nH]1
InChIInChI=1S/C18H24N4O/c1-14(23)19-11-17-12-20-18(21-17)16-8-10-22(13-16)9-7-15-5-3-2-4-6-15/h2-6,12,16H,7-11,13H2,1H3,(H,19,23)(H,20,21)/t16-/m0/s1
InChIKeyHPCQUXBCZFYVFG-INIZCTEOSA-N
XLogP2.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 125013153
N-[[2-[(3R)-1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 125023356
(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
CID 125014452
5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole
CID 110104616
N-[[2-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124977533
N-[[2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117032
N-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124948396
N-[[2-[(3S)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide
CID 124962322
4-phenyl-1-(2-phenylethyl)piperidine;propanamide
CID 175431355
N-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]acetamide
CID 61212881
2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 120704332
tert-butyl N-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]carbamate
CID 107237024

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide (CID 124963297) is N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide is CC(=O)NCc1cnc([C@H]2CCN(CCc3ccccc3)C2)[nH]1.
What is the InChIKey of N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The InChIKey is HPCQUXBCZFYVFG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14(23)19-11-17-12-20-18(21-17)16-8-10-22(13-16)9-7-15-5-3-2-4-6-15/h2-6,12,16H,7-11,13H2,1H3,(H,19,23)(H,20,21)/t16-/m0/s1.
What are the key properties of N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide has a molecular weight of 312.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 124963297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).