2-[2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

C22H32N5O2- — CID 140606665

IUPAC2-[2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESCC1(C)CC(CC2(c3nc4c(C(N)=O)cccc4[nH]3)CCCN2)CC(C)(C)N1[O-]
InChIInChI=1S/C22H32N5O2/c1-20(2)11-14(12-21(3,4)27(20)29)13-22(9-6-10-24-22)19-25-16-8-5-7-15(18(23)28)17(16)26-19/h5,7-8,14,24H,6,9-13H2,1-4H3,(H2,23,28)(H,25,26)/q-1
InChIKeyBEGCUHGCHCHXTK-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.40
Rot. Bonds4

About 2-[2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

2-[2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 140606665) has the molecular formula C22H32N5O2- and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
PubChem CID140606665
Molecular FormulaC22H32N5O2-
Molecular Weight398.53 g/mol
Exact Mass398.26
IUPAC Name2-[2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESCC1(C)CC(CC2(c3nc4c(C(N)=O)cccc4[nH]3)CCCN2)CC(C)(C)N1[O-]
InChIInChI=1S/C22H32N5O2/c1-20(2)11-14(12-21(3,4)27(20)29)13-22(9-6-10-24-22)19-25-16-8-5-7-15(18(23)28)17(16)26-19/h5,7-8,14,24H,6,9-13H2,1-4H3,(H2,23,28)(H,25,26)/q-1
InChIKeyBEGCUHGCHCHXTK-UHFFFAOYSA-N
XLogP3.40
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
CID 67477390
2-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
CID 67477452
2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 25194781
3-(4-carbamoyl-1H-benzimidazol-2-yl)-3-methylpyrrolidine-1-carboxylic acid
CID 66751111
2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 11960920
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide
CID 25183353
2-[(1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide
CID 25229722
2-(2-ethyl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide
CID 25229725
2-(3-methyl-1-propylazetidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 11960832
2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 11960736
2-[1-(propylamino)cyclobutyl]-1H-benzimidazole-4-carboxamide
CID 11960018
2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1H-benzimidazole-4-carboxamide
CID 11960921

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (CID 140606665) is 2-[2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is CC1(C)CC(CC2(c3nc4c(C(N)=O)cccc4[nH]3)CCCN2)CC(C)(C)N1[O-].
What is the InChIKey of 2-[2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is BEGCUHGCHCHXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N5O2/c1-20(2)11-14(12-21(3,4)27(20)29)13-22(9-6-10-24-22)19-25-16-8-5-7-15(18(23)28)17(16)26-19/h5,7-8,14,24H,6,9-13H2,1-4H3,(H2,23,28)(H,25,26)/q-1.
What are the key properties of 2-[2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
2-[2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 140606665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).