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

C22H33N5O2 — CID 67477390

IUPAC2-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-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)N1O
InChIInChI=1S/C22H33N5O2/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/h5,7-8,14,24,29H,6,9-13H2,1-4H3,(H2,23,28)(H,25,26)
InChIKeyQEVSINIWKAFXRW-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.29
Rot. Bonds4

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

2-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 67477390) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
PubChem CID67477390
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name2-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-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)N1O
InChIInChI=1S/C22H33N5O2/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/h5,7-8,14,24,29H,6,9-13H2,1-4H3,(H2,23,28)(H,25,26)
InChIKeyQEVSINIWKAFXRW-UHFFFAOYSA-N
XLogP3.29
TPSA107.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (CID 67477390) is 2-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-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)N1O.
What is the InChIKey of 2-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is QEVSINIWKAFXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/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/h5,7-8,14,24,29H,6,9-13H2,1-4H3,(H2,23,28)(H,25,26).
What are the key properties of 2-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
2-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 3.29, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 67477390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).