[5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate

C21H29N5O4 — CID 70167624

IUPAC[5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCC1(C)CC(C(=O)OC2CNC(c3nc4c(C(N)=O)cccc4[nH]3)C2)C(C)(C)N1O
InChIInChI=1S/C21H29N5O4/c1-20(2)9-13(21(3,4)26(20)29)19(28)30-11-8-15(23-10-11)18-24-14-7-5-6-12(17(22)27)16(14)25-18/h5-7,11,13,15,23,29H,8-10H2,1-4H3,(H2,22,27)(H,24,25)
InChIKeyBKHXSLQIIMLLOZ-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.88
Rot. Bonds4

About [5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate

[5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate (PubChem CID 70167624) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is [5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
PubChem CID70167624
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name[5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCC1(C)CC(C(=O)OC2CNC(c3nc4c(C(N)=O)cccc4[nH]3)C2)C(C)(C)N1O
InChIInChI=1S/C21H29N5O4/c1-20(2)9-13(21(3,4)26(20)29)19(28)30-11-8-15(23-10-11)18-24-14-7-5-6-12(17(22)27)16(14)25-18/h5-7,11,13,15,23,29H,8-10H2,1-4H3,(H2,22,27)(H,24,25)
InChIKeyBKHXSLQIIMLLOZ-UHFFFAOYSA-N
XLogP1.88
TPSA133.57 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate 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 [5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The IUPAC name of [5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate (CID 70167624) is [5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate.
What is the SMILES notation for [5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The canonical SMILES for [5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate is CC1(C)CC(C(=O)OC2CNC(c3nc4c(C(N)=O)cccc4[nH]3)C2)C(C)(C)N1O.
What is the InChIKey of [5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The InChIKey is BKHXSLQIIMLLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-20(2)9-13(21(3,4)26(20)29)19(28)30-11-8-15(23-10-11)18-24-14-7-5-6-12(17(22)27)16(14)25-18/h5-7,11,13,15,23,29H,8-10H2,1-4H3,(H2,22,27)(H,24,25).
What are the key properties of [5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
[5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate has a molecular weight of 415.49 g/mol, XLogP of 1.88, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-carbamoyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 70167624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).