2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid

C19H25N5O4 — CID 78593148

IUPAC2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid
SMILESCC(C)CC(NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC(C)C(=O)O
InChIInChI=1S/C19H25N5O4/c1-11(2)10-14(16(25)20-12(3)17(26)27)22-19(28)24-9-8-23-15-7-5-4-6-13(15)21-18(23)24/h4-7,11-12,14H,8-10H2,1-3H3,(H,20,25)(H,22,28)(H,26,27)
InChIKeyIQPOLIMRHAPQLR-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.57
Rot. Bonds6

About 2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid

2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid (PubChem CID 78593148) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid
PubChem CID78593148
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid
SMILESCC(C)CC(NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC(C)C(=O)O
InChIInChI=1S/C19H25N5O4/c1-11(2)10-14(16(25)20-12(3)17(26)27)22-19(28)24-9-8-23-15-7-5-4-6-13(15)21-18(23)24/h4-7,11-12,14H,8-10H2,1-3H3,(H,20,25)(H,22,28)(H,26,27)
InChIKeyIQPOLIMRHAPQLR-UHFFFAOYSA-N
XLogP1.57
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid (CID 78593148) is 2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid is CC(C)CC(NC(=O)N1CCn2c1nc1ccccc12)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid?
The InChIKey is IQPOLIMRHAPQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-11(2)10-14(16(25)20-12(3)17(26)27)22-19(28)24-9-8-23-15-7-5-4-6-13(15)21-18(23)24/h4-7,11-12,14H,8-10H2,1-3H3,(H,20,25)(H,22,28)(H,26,27).
What are the key properties of 2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid?
2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid has a molecular weight of 387.44 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid is sourced from PubChem (CID 78593148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).