3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propanamide

C12H14N4O — CID 712895

IUPAC3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propanamide
SMILESNC(=O)CCN1CCn2c1nc1ccccc12
InChIInChI=1S/C12H14N4O/c13-11(17)5-6-15-7-8-16-10-4-2-1-3-9(10)14-12(15)16/h1-4H,5-8H2,(H2,13,17)
InChIKeyXXEHNSDMSQKPKA-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.73
Rot. Bonds3

About 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propanamide

3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propanamide (PubChem CID 712895) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propanamide
PubChem CID712895
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propanamide
SMILESNC(=O)CCN1CCn2c1nc1ccccc12
InChIInChI=1S/C12H14N4O/c13-11(17)5-6-15-7-8-16-10-4-2-1-3-9(10)14-12(15)16/h1-4H,5-8H2,(H2,13,17)
InChIKeyXXEHNSDMSQKPKA-UHFFFAOYSA-N
XLogP0.73
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propanamide?
The IUPAC name of 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propanamide (CID 712895) is 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propanamide.
What is the SMILES notation for 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propanamide?
The canonical SMILES for 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propanamide is NC(=O)CCN1CCn2c1nc1ccccc12.
What is the InChIKey of 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propanamide?
The InChIKey is XXEHNSDMSQKPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-11(17)5-6-15-7-8-16-10-4-2-1-3-9(10)14-12(15)16/h1-4H,5-8H2,(H2,13,17).
What are the key properties of 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propanamide?
3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propanamide has a molecular weight of 230.27 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propanamide is sourced from PubChem (CID 712895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).