2-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide

C16H22N4O2 — CID 44590299

IUPAC2-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)CC(c2nc3c(C(N)=O)cccc3[nH]2)C(C)(C)N1O
InChIInChI=1S/C16H22N4O2/c1-15(2)8-10(16(3,4)20(15)22)14-18-11-7-5-6-9(13(17)21)12(11)19-14/h5-7,10,22H,8H2,1-4H3,(H2,17,21)(H,18,19)
InChIKeyVSHLSBGNWXPKGS-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.40
Rot. Bonds2

About 2-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide

2-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 44590299) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID44590299
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)CC(c2nc3c(C(N)=O)cccc3[nH]2)C(C)(C)N1O
InChIInChI=1S/C16H22N4O2/c1-15(2)8-10(16(3,4)20(15)22)14-18-11-7-5-6-9(13(17)21)12(11)19-14/h5-7,10,22H,8H2,1-4H3,(H2,17,21)(H,18,19)
InChIKeyVSHLSBGNWXPKGS-UHFFFAOYSA-N
XLogP2.40
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide (CID 44590299) is 2-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide is CC1(C)CC(c2nc3c(C(N)=O)cccc3[nH]2)C(C)(C)N1O.
What is the InChIKey of 2-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is VSHLSBGNWXPKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-15(2)8-10(16(3,4)20(15)22)14-18-11-7-5-6-9(13(17)21)12(11)19-14/h5-7,10,22H,8H2,1-4H3,(H2,17,21)(H,18,19).
What are the key properties of 2-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide?
2-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 44590299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).