5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one

C11H15N3O — CID 83882487

IUPAC5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one
SMILESCC(N)Cc1ccc2[nH]c(=O)n(C)c2c1
InChIInChI=1S/C11H15N3O/c1-7(12)5-8-3-4-9-10(6-8)14(2)11(15)13-9/h3-4,6-7H,5,12H2,1-2H3,(H,13,15)
InChIKeyYNDXWKBOUARHEX-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.76
Rot. Bonds2

About 5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one

5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one (PubChem CID 83882487) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one
PubChem CID83882487
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one
SMILESCC(N)Cc1ccc2[nH]c(=O)n(C)c2c1
InChIInChI=1S/C11H15N3O/c1-7(12)5-8-3-4-9-10(6-8)14(2)11(15)13-9/h3-4,6-7H,5,12H2,1-2H3,(H,13,15)
InChIKeyYNDXWKBOUARHEX-UHFFFAOYSA-N
XLogP0.76
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one (CID 83882487) is 5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one is CC(N)Cc1ccc2[nH]c(=O)n(C)c2c1.
What is the InChIKey of 5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one?
The InChIKey is YNDXWKBOUARHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(12)5-8-3-4-9-10(6-8)14(2)11(15)13-9/h3-4,6-7H,5,12H2,1-2H3,(H,13,15).
What are the key properties of 5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one?
5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 83882487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).