1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C23H33N5O2 — CID 108809969

IUPAC1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc2nc(C3CCN(C(=O)C4CC(=O)N(CCCN(C)C)C4)CC3)[nH]c2c1
InChIInChI=1S/C23H33N5O2/c1-16-5-6-19-20(13-16)25-22(24-19)17-7-11-27(12-8-17)23(30)18-14-21(29)28(15-18)10-4-9-26(2)3/h5-6,13,17-18H,4,7-12,14-15H2,1-3H3,(H,24,25)
InChIKeyMUSYBUAHSYUNGN-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.38
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 108809969) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID108809969
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc2nc(C3CCN(C(=O)C4CC(=O)N(CCCN(C)C)C4)CC3)[nH]c2c1
InChIInChI=1S/C23H33N5O2/c1-16-5-6-19-20(13-16)25-22(24-19)17-7-11-27(12-8-17)23(30)18-14-21(29)28(15-18)10-4-9-26(2)3/h5-6,13,17-18H,4,7-12,14-15H2,1-3H3,(H,24,25)
InChIKeyMUSYBUAHSYUNGN-UHFFFAOYSA-N
XLogP2.38
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 108809864
(4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37023966
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 108800270
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95128434
1-[2-(dimethylamino)ethyl]-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113182849
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97150099
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 108733646

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 108809969) is 1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc2nc(C3CCN(C(=O)C4CC(=O)N(CCCN(C)C)C4)CC3)[nH]c2c1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is MUSYBUAHSYUNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-16-5-6-19-20(13-16)25-22(24-19)17-7-11-27(12-8-17)23(30)18-14-21(29)28(15-18)10-4-9-26(2)3/h5-6,13,17-18H,4,7-12,14-15H2,1-3H3,(H,24,25).
What are the key properties of 1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 411.55 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 108809969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).