N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide

C17H19ClN4O2 — CID 42530103

IUPACN-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide
SMILESO=C(Cn1ccnc1)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1
InChIInChI=1S/C17H19ClN4O2/c18-14-3-1-2-13(8-14)4-6-22-10-15(9-17(22)24)20-16(23)11-21-7-5-19-12-21/h1-3,5,7-8,12,15H,4,6,9-11H2,(H,20,23)/t15-/m0/s1
InChIKeyYCYYNNCOUHQXKC-HNNXBMFYSA-N
MW346.82 g/mol
LogP1.50
Rot. Bonds6

About N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide

N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide (PubChem CID 42530103) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide
PubChem CID42530103
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide
SMILESO=C(Cn1ccnc1)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1
InChIInChI=1S/C17H19ClN4O2/c18-14-3-1-2-13(8-14)4-6-22-10-15(9-17(22)24)20-16(23)11-21-7-5-19-12-21/h1-3,5,7-8,12,15H,4,6,9-11H2,(H,20,23)/t15-/m0/s1
InChIKeyYCYYNNCOUHQXKC-HNNXBMFYSA-N
XLogP1.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
CID 42567385
N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 25378968
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 26329415
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]but-2-ynamide
CID 26315273
1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 42395409
N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 45215931
(4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 42521409
4-chloro-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168688652
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 42377030
1-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea
CID 42464310
N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 45177198
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1-oxidopyridin-1-ium-3-carboxamide
CID 42384857

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide?
The IUPAC name of N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide (CID 42530103) is N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide?
The canonical SMILES for N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide is O=C(Cn1ccnc1)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1.
What is the InChIKey of N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide?
The InChIKey is YCYYNNCOUHQXKC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-14-3-1-2-13(8-14)4-6-22-10-15(9-17(22)24)20-16(23)11-21-7-5-19-12-21/h1-3,5,7-8,12,15H,4,6,9-11H2,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide?
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide has a molecular weight of 346.82 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 42530103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).