1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one

C13H15N3O — CID 123464550

IUPAC1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one
SMILES[H]/N=C(\C)Cn1c(=O)n(C2CC2)c2ccccc21
InChIInChI=1S/C13H15N3O/c1-9(14)8-15-11-4-2-3-5-12(11)16(13(15)17)10-6-7-10/h2-5,10,14H,6-8H2,1H3/b14-9+
InChIKeyBDSPIHWXBNKQQB-NTEUORMPSA-N
MW229.28 g/mol
LogP2.18
Rot. Bonds3

About 1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one

1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one (PubChem CID 123464550) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one
PubChem CID123464550
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one
SMILES[H]/N=C(\C)Cn1c(=O)n(C2CC2)c2ccccc21
InChIInChI=1S/C13H15N3O/c1-9(14)8-15-11-4-2-3-5-12(11)16(13(15)17)10-6-7-10/h2-5,10,14H,6-8H2,1H3/b14-9+
InChIKeyBDSPIHWXBNKQQB-NTEUORMPSA-N
XLogP2.18
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one (CID 123464550) is 1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one is [H]/N=C(\C)Cn1c(=O)n(C2CC2)c2ccccc21.
What is the InChIKey of 1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one?
The InChIKey is BDSPIHWXBNKQQB-NTEUORMPSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(14)8-15-11-4-2-3-5-12(11)16(13(15)17)10-6-7-10/h2-5,10,14H,6-8H2,1H3/b14-9+.
What are the key properties of 1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one?
1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-iminopropyl)benzimidazol-2-one is sourced from PubChem (CID 123464550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).