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

C18H24N4O — CID 119898701

IUPACN-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCc1nccn1CCc1ccccc1
InChIInChI=1S/C18H24N4O/c23-18(13-16-7-4-9-19-16)21-14-17-20-10-12-22(17)11-8-15-5-2-1-3-6-15/h1-3,5-6,10,12,16,19H,4,7-9,11,13-14H2,(H,21,23)
InChIKeyIKIAZIGWEZFXJU-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.88
Rot. Bonds7

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

N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119898701) 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-2-ylacetamide.

Molecular Properties

Compound NameN-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119898701
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCc1nccn1CCc1ccccc1
InChIInChI=1S/C18H24N4O/c23-18(13-16-7-4-9-19-16)21-14-17-20-10-12-22(17)11-8-15-5-2-1-3-6-15/h1-3,5-6,10,12,16,19H,4,7-9,11,13-14H2,(H,21,23)
InChIKeyIKIAZIGWEZFXJU-UHFFFAOYSA-N
XLogP1.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898678
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898680
1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 96990226
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119898673
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119902772
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119846944
1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005629
1-[[1-(2-phenylethyl)imidazol-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122005626
(2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 120638608
N-[(2-phenylmethoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119736953
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 N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide (CID 119898701) is N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NCc1nccn1CCc1ccccc1.
What is the InChIKey of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is IKIAZIGWEZFXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c23-18(13-16-7-4-9-19-16)21-14-17-20-10-12-22(17)11-8-15-5-2-1-3-6-15/h1-3,5-6,10,12,16,19H,4,7-9,11,13-14H2,(H,21,23).
What are the key properties of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide?
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 312.42 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 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-2-ylacetamide is sourced from PubChem (CID 119898701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).