N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide

C18H24N4O — CID 166249976

IUPACN-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NCc1nccn1CCc1ccccc1
InChIInChI=1S/C18H24N4O/c23-18(15-21-10-4-5-11-21)20-14-17-19-9-13-22(17)12-8-16-6-2-1-3-7-16/h1-3,6-7,9,13H,4-5,8,10-12,14-15H2,(H,20,23)
InChIKeyUASYOBKNGGVABH-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.84
Rot. Bonds7

About N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide

N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 166249976) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
PubChem CID166249976
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NCc1nccn1CCc1ccccc1
InChIInChI=1S/C18H24N4O/c23-18(15-21-10-4-5-11-21)20-14-17-19-9-13-22(17)12-8-16-6-2-1-3-7-16/h1-3,6-7,9,13H,4-5,8,10-12,14-15H2,(H,20,23)
InChIKeyUASYOBKNGGVABH-UHFFFAOYSA-N
XLogP1.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benznidazole
CID 31593
1-{(S)-2-[(S)-2-(1H-Imidazole-2-carbonyl)-pyrrolidine-1-carbonyl]-pyrrolidin-1-yl}-4-phenyl-butan-1-one
CID 10364110
5H,10H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one
CID 10353549
N-[3-(1H-imidazol-1-yl)propyl]-2-(4-methylphenyl)acetamide
CID 2939686
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 54581935
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1-pentan-3-ylimidazol-4-yl)pentanamide
CID 54585748
PREP inhibitor-1
CID 163321208
1-[(2S)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 164614810
1-[(2S)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-phenylpentan-1-one
CID 164621268
2-(4-Nitro-imidazol-1-yl)-N-phenethyl-acetamide
CID 1099826
N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide
CID 2861400
1'-Methylspiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,2'-pyrrolidine]-7-one
CID 10062914

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide (CID 166249976) is N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)NCc1nccn1CCc1ccccc1.
What is the InChIKey of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is UASYOBKNGGVABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c23-18(15-21-10-4-5-11-21)20-14-17-19-9-13-22(17)12-8-16-6-2-1-3-7-16/h1-3,6-7,9,13H,4-5,8,10-12,14-15H2,(H,20,23).
What are the key properties of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide?
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 312.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 166249976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).