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

C19H18N4O3 — CID 47001220

IUPAC2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12
InChIInChI=1S/C19H18N4O3/c24-17(25)15(12-13-6-2-1-3-7-13)21-19(26)23-11-10-22-16-9-5-4-8-14(16)20-18(22)23/h1-9,15H,10-12H2,(H,21,26)(H,24,25)
InChIKeyQCVVONHUFMFYEJ-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.26
Rot. Bonds4

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

2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid (PubChem CID 47001220) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid
PubChem CID47001220
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12
InChIInChI=1S/C19H18N4O3/c24-17(25)15(12-13-6-2-1-3-7-13)21-19(26)23-11-10-22-16-9-5-4-8-14(16)20-18(22)23/h1-9,15H,10-12H2,(H,21,26)(H,24,25)
InChIKeyQCVVONHUFMFYEJ-UHFFFAOYSA-N
XLogP2.26
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 78593191
N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 73401010
(2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid
CID 92506559
N-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 78595582
N-[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 78529305
N-[1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 78530144
N-[(2S)-1-(2-methoxyethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 7711615
(2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoyl]amino]-4-methylpentanoate
CID 8016047
N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 56737614
(2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoic acid
CID 104901968
(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
CID 942242
(2S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119366771

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid?
The IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid (CID 47001220) is 2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid?
The canonical SMILES for 2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12.
What is the InChIKey of 2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid?
The InChIKey is QCVVONHUFMFYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-17(25)15(12-13-6-2-1-3-7-13)21-19(26)23-11-10-22-16-9-5-4-8-14(16)20-18(22)23/h1-9,15H,10-12H2,(H,21,26)(H,24,25).
What are the key properties of 2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid?
2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid has a molecular weight of 350.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 47001220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).