6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one

C13H19N3O — CID 117338879

IUPAC6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(N)Cc1ccc2c(c1)[nH]c(=O)n2C(C)C
InChIInChI=1S/C13H19N3O/c1-8(2)16-12-5-4-10(6-9(3)14)7-11(12)15-13(16)17/h4-5,7-9H,6,14H2,1-3H3,(H,15,17)
InChIKeyJYVBWDKAOKTEGU-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.80
Rot. Bonds3

About 6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one

6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 117338879) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one
PubChem CID117338879
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(N)Cc1ccc2c(c1)[nH]c(=O)n2C(C)C
InChIInChI=1S/C13H19N3O/c1-8(2)16-12-5-4-10(6-9(3)14)7-11(12)15-13(16)17/h4-5,7-9H,6,14H2,1-3H3,(H,15,17)
InChIKeyJYVBWDKAOKTEGU-UHFFFAOYSA-N
XLogP1.80
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 117314387
5-(2-aminopropyl)-3-methyl-1H-benzimidazol-2-one
CID 83882487
6-methyl-3-propan-2-yl-1H-benzimidazol-2-one
CID 67560212
4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid
CID 117410283
6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one
CID 90717928
6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 117340757
3-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 4555935
6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 117464116
6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 117436491
6-(aminomethyl)-3-methyl-1H-benzimidazol-2-one
CID 65037640
5-(2-amino-1-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 83896659
2-(5-amino-2-oxo-3H-benzimidazol-1-yl)-4-methylpentanoic acid
CID 110491444

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one (CID 117338879) is 6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one is CC(N)Cc1ccc2c(c1)[nH]c(=O)n2C(C)C.
What is the InChIKey of 6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is JYVBWDKAOKTEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(2)16-12-5-4-10(6-9(3)14)7-11(12)15-13(16)17/h4-5,7-9H,6,14H2,1-3H3,(H,15,17).
What are the key properties of 6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one?
6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 117338879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).