1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C24H25ClN4O2 — CID 108809864

IUPAC1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc2nc(C3CCN(C(=O)C4CC(=O)N(c5ccc(Cl)cc5)C4)CC3)[nH]c2c1
InChIInChI=1S/C24H25ClN4O2/c1-15-2-7-20-21(12-15)27-23(26-20)16-8-10-28(11-9-16)24(31)17-13-22(30)29(14-17)19-5-3-18(25)4-6-19/h2-7,12,16-17H,8-11,13-14H2,1H3,(H,26,27)
InChIKeyAAHDCERWFCUWBW-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.28
Rot. Bonds3

About 1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 108809864) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID108809864
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc2nc(C3CCN(C(=O)C4CC(=O)N(c5ccc(Cl)cc5)C4)CC3)[nH]c2c1
InChIInChI=1S/C24H25ClN4O2/c1-15-2-7-20-21(12-15)27-23(26-20)16-8-10-28(11-9-16)24(31)17-13-22(30)29(14-17)19-5-3-18(25)4-6-19/h2-7,12,16-17H,8-11,13-14H2,1H3,(H,26,27)
InChIKeyAAHDCERWFCUWBW-UHFFFAOYSA-N
XLogP4.28
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 108809969
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
1-(4-chlorophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 71780419
1-(4-chlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119563793
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497629
(4S)-1-(4-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)pyrrolidin-2-one
CID 7337159
(4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 924808
methyl 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9391181
5-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
CID 90540721

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 108809864) is 1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc2nc(C3CCN(C(=O)C4CC(=O)N(c5ccc(Cl)cc5)C4)CC3)[nH]c2c1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is AAHDCERWFCUWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-15-2-7-20-21(12-15)27-23(26-20)16-8-10-28(11-9-16)24(31)17-13-22(30)29(14-17)19-5-3-18(25)4-6-19/h2-7,12,16-17H,8-11,13-14H2,1H3,(H,26,27).
What are the key properties of 1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 436.94 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 108809864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).