6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one

C13H17N3O — CID 117334570

IUPAC6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(C3(N)CCCC3)ccc21
InChIInChI=1S/C13H17N3O/c1-16-11-5-4-9(8-10(11)15-12(16)17)13(14)6-2-3-7-13/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,17)
InChIKeyJYUBTPTXEFFEKF-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.59
Rot. Bonds1

About 6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one

6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one (PubChem CID 117334570) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one
PubChem CID117334570
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc(C3(N)CCCC3)ccc21
InChIInChI=1S/C13H17N3O/c1-16-11-5-4-9(8-10(11)15-12(16)17)13(14)6-2-3-7-13/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,17)
InChIKeyJYUBTPTXEFFEKF-UHFFFAOYSA-N
XLogP1.59
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one (CID 117334570) is 6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2cc(C3(N)CCCC3)ccc21.
What is the InChIKey of 6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one?
The InChIKey is JYUBTPTXEFFEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-11-5-4-9(8-10(11)15-12(16)17)13(14)6-2-3-7-13/h4-5,8H,2-3,6-7,14H2,1H3,(H,15,17).
What are the key properties of 6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one?
6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 117334570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).