2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide

C19H24N4O2 — CID 91650901

IUPAC2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide
SMILESCCCc1ccccc1NC(=O)C(=O)N1CCCC1Cn1ccnc1
InChIInChI=1S/C19H24N4O2/c1-2-6-15-7-3-4-9-17(15)21-18(24)19(25)23-11-5-8-16(23)13-22-12-10-20-14-22/h3-4,7,9-10,12,14,16H,2,5-6,8,11,13H2,1H3,(H,21,24)
InChIKeyVNRAYEFEVGCICP-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.47
Rot. Bonds5

About 2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide

2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide (PubChem CID 91650901) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide
PubChem CID91650901
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide
SMILESCCCc1ccccc1NC(=O)C(=O)N1CCCC1Cn1ccnc1
InChIInChI=1S/C19H24N4O2/c1-2-6-15-7-3-4-9-17(15)21-18(24)19(25)23-11-5-8-16(23)13-22-12-10-20-14-22/h3-4,7,9-10,12,14,16H,2,5-6,8,11,13H2,1H3,(H,21,24)
InChIKeyVNRAYEFEVGCICP-UHFFFAOYSA-N
XLogP2.47
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(imidazol-1-ylmethyl)-N-(2-pyridin-4-ylphenyl)pyrrolidine-1-carboxamide
CID 124615062
(2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide
CID 111116843
1-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704922
methyl 2-[6-[[(2S)-2-(imidazol-1-ylmethyl)pyrrolidine-1-carbonyl]amino]-2-pyridinyl]acetate
CID 124622664
1-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 124609916
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 47336165
(2R)-N-[(4-chloro-2-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124619820
(2S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124609789
(2S)-2-imidazol-1-yl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95354634
(2R)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124570295
[2-fluoro-4-(4-methylphenyl)phenyl]-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 166247413
N'-[2-(imidazol-1-ylmethyl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indol-4-yl)oxamide
CID 167894801

Frequently Asked Questions

What is the IUPAC name of 2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide?
The IUPAC name of 2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide (CID 91650901) is 2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide.
What is the SMILES notation for 2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide?
The canonical SMILES for 2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide is CCCc1ccccc1NC(=O)C(=O)N1CCCC1Cn1ccnc1.
What is the InChIKey of 2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide?
The InChIKey is VNRAYEFEVGCICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-6-15-7-3-4-9-17(15)21-18(24)19(25)23-11-5-8-16(23)13-22-12-10-20-14-22/h3-4,7,9-10,12,14,16H,2,5-6,8,11,13H2,1H3,(H,21,24).
What are the key properties of 2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide?
2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide has a molecular weight of 340.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-2-oxo-N-(2-propylphenyl)acetamide is sourced from PubChem (CID 91650901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).