(2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid

C15H18N4O3 — CID 92506559

About (2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid

(2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid (PubChem CID 92506559) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid.

Molecular Properties

• Compound Name: (2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid
• PubChem CID: 92506559
• Molecular Formula: C15H18N4O3
• Molecular Weight: 302.33 g/mol
• Exact Mass: 302.14
• IUPAC Name: (2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid
• SMILES: CC(C)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)O
• InChI: InChI=1S/C15H18N4O3/c1-9(2)12(13(20)21)17-15(22)19-8-7-18-11-6-4-3-5-10(11)16-14(18)19/h3-6,9,12H,7-8H2,1-2H3,(H,17,22)(H,20,21)/t12-/m1/s1
• InChIKey: HENJGQNAQVUNIK-GFCCVEGCSA-N
• XLogP: 1.68
• TPSA: 87.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.33
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid?

The IUPAC name of (2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid (CID 92506559) is (2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid.

What is the SMILES notation for (2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid?

The canonical SMILES for (2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)O.

What is the InChIKey of (2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid?

The InChIKey is HENJGQNAQVUNIK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9(2)12(13(20)21)17-15(22)19-8-7-18-11-6-4-3-5-10(11)16-14(18)19/h3-6,9,12H,7-8H2,1-2H3,(H,17,22)(H,20,21)/t12-/m1/s1.

What are the key properties of (2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid?

(2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid has a molecular weight of 302.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid is sourced from PubChem (CID 92506559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).