N-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide

C21H23N5O2 — CID 78595582

IUPACN-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
SMILESCC(NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C21H23N5O2/c1-15(19(27)22-12-11-16-7-3-2-4-8-16)23-21(28)26-14-13-25-18-10-6-5-9-17(18)24-20(25)26/h2-10,15H,11-14H2,1H3,(H,22,27)(H,23,28)
InChIKeyNXNLEGMDYMVTFP-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.31
Rot. Bonds5

About N-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide

N-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide (PubChem CID 78595582) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
PubChem CID78595582
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
SMILESCC(NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C21H23N5O2/c1-15(19(27)22-12-11-16-7-3-2-4-8-16)23-21(28)26-14-13-25-18-10-6-5-9-17(18)24-20(25)26/h2-10,15H,11-14H2,1H3,(H,22,27)(H,23,28)
InChIKeyNXNLEGMDYMVTFP-UHFFFAOYSA-N
XLogP2.31
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 56737614
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 78595450
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 78530236
N-[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 78529305
2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid
CID 78593148
2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid
CID 47001220
(2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid
CID 92506559
2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 78593191
N-[1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 73400899
(2S,3S)-2-[[(2S,3R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylpentanoyl]amino]-3-methylpentanoic acid
CID 25427545
N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 7711628
2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoyl]amino]-3-methylpentanoic acid
CID 73256640

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of N-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide (CID 78595582) is N-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for N-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide is CC(NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCCc1ccccc1.
What is the InChIKey of N-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is NXNLEGMDYMVTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15(19(27)22-12-11-16-7-3-2-4-8-16)23-21(28)26-14-13-25-18-10-6-5-9-17(18)24-20(25)26/h2-10,15H,11-14H2,1H3,(H,22,27)(H,23,28).
What are the key properties of N-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
N-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(2-phenylethylamino)propan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 78595582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).