1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one

C20H26N4O2 — CID 17002359

IUPAC1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCC1CCCCN1C(=O)Cn1c(C2CC(=O)N(C)C2)nc2ccccc21
InChIInChI=1S/C20H26N4O2/c1-14-7-5-6-10-23(14)19(26)13-24-17-9-4-3-8-16(17)21-20(24)15-11-18(25)22(2)12-15/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3
InChIKeyUCYRVHMKAPQVFQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.38
Rot. Bonds3

About 1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one

1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17002359) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17002359
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCC1CCCCN1C(=O)Cn1c(C2CC(=O)N(C)C2)nc2ccccc21
InChIInChI=1S/C20H26N4O2/c1-14-7-5-6-10-23(14)19(26)13-24-17-9-4-3-8-16(17)21-20(24)15-11-18(25)22(2)12-15/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3
InChIKeyUCYRVHMKAPQVFQ-UHFFFAOYSA-N
XLogP2.38
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one with MolForge

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Related Compounds

2-[2-(1-methyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 17002346
2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 40823641
(4R)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-cyclopropylpyrrolidin-2-one
CID 39730145
2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 17000859
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40500172
2-[2-(benzylamino)benzimidazol-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 9119343
(4R)-1-(4-methylphenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42387146
4-(1-hexadecylbenzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 17002249
(4S)-1-methyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 39115849
(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40634253

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 17002359) is 1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one is CC1CCCCN1C(=O)Cn1c(C2CC(=O)N(C)C2)nc2ccccc21.
What is the InChIKey of 1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is UCYRVHMKAPQVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-7-5-6-10-23(14)19(26)13-24-17-9-4-3-8-16(17)21-20(24)15-11-18(25)22(2)12-15/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3.
What are the key properties of 1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one?
1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17002359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).