5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one

C20H25ClN4O — CID 56673993

IUPAC5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
SMILESCN1C(=O)C(CN2CCCCC2)CC1c1ncc(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C20H25ClN4O/c1-24-18(11-14(20(24)26)13-25-9-5-2-6-10-25)19-22-12-17(23-19)15-7-3-4-8-16(15)21/h3-4,7-8,12,14,18H,2,5-6,9-11,13H2,1H3,(H,22,23)
InChIKeyHTMFXDINJCEKDX-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.74
Rot. Bonds4

About 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one

5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one (PubChem CID 56673993) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
PubChem CID56673993
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
SMILESCN1C(=O)C(CN2CCCCC2)CC1c1ncc(-c2ccccc2Cl)[nH]1
InChIInChI=1S/C20H25ClN4O/c1-24-18(11-14(20(24)26)13-25-9-5-2-6-10-25)19-22-12-17(23-19)15-7-3-4-8-16(15)21/h3-4,7-8,12,14,18H,2,5-6,9-11,13H2,1H3,(H,22,23)
InChIKeyHTMFXDINJCEKDX-UHFFFAOYSA-N
XLogP3.74
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one (CID 56673993) is 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one is CN1C(=O)C(CN2CCCCC2)CC1c1ncc(-c2ccccc2Cl)[nH]1.
What is the InChIKey of 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
The InChIKey is HTMFXDINJCEKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-24-18(11-14(20(24)26)13-25-9-5-2-6-10-25)19-22-12-17(23-19)15-7-3-4-8-16(15)21/h3-4,7-8,12,14,18H,2,5-6,9-11,13H2,1H3,(H,22,23).
What are the key properties of 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one has a molecular weight of 372.90 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 56673993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).