[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone

C19H26N4O3S — CID 91946978

IUPAC[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
SMILESCn1c(C2CCCN(C(=O)C3CCCN3S(C)(=O)=O)C2)nc2ccccc21
InChIInChI=1S/C19H26N4O3S/c1-21-16-9-4-3-8-15(16)20-18(21)14-7-5-11-22(13-14)19(24)17-10-6-12-23(17)27(2,25)26/h3-4,8-9,14,17H,5-7,10-13H2,1-2H3
InChIKeyVRNLUUPNDJPOKU-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.70
Rot. Bonds3

About [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone (PubChem CID 91946978) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
PubChem CID91946978
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
SMILESCn1c(C2CCCN(C(=O)C3CCCN3S(C)(=O)=O)C2)nc2ccccc21
InChIInChI=1S/C19H26N4O3S/c1-21-16-9-4-3-8-15(16)20-18(21)14-7-5-11-22(13-14)19(24)17-10-6-12-23(17)27(2,25)26/h3-4,8-9,14,17H,5-7,10-13H2,1-2H3
InChIKeyVRNLUUPNDJPOKU-UHFFFAOYSA-N
XLogP1.70
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole
CID 94179592
[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975918
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 95729485
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961
N-[2-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 91947054
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone
CID 91947132
1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97186933

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
The IUPAC name of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone (CID 91946978) is [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
The canonical SMILES for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone is Cn1c(C2CCCN(C(=O)C3CCCN3S(C)(=O)=O)C2)nc2ccccc21.
What is the InChIKey of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
The InChIKey is VRNLUUPNDJPOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-21-16-9-4-3-8-15(16)20-18(21)14-7-5-11-22(13-14)19(24)17-10-6-12-23(17)27(2,25)26/h3-4,8-9,14,17H,5-7,10-13H2,1-2H3.
What are the key properties of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone has a molecular weight of 390.51 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 91946978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).