N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide

C24H28N6O2 — CID 73401010

IUPACN-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
SMILESCN1CCN(C(=O)C(Cc2ccccc2)NC(=O)N2CCn3c2nc2ccccc23)CC1
InChIInChI=1S/C24H28N6O2/c1-27-11-13-28(14-12-27)22(31)20(17-18-7-3-2-4-8-18)26-24(32)30-16-15-29-21-10-6-5-9-19(21)25-23(29)30/h2-10,20H,11-17H2,1H3,(H,26,32)
InChIKeySDTDVCROTUNWEX-UHFFFAOYSA-N
MW432.53 g/mol
LogP1.95
Rot. Bonds4

About N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide

N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide (PubChem CID 73401010) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
PubChem CID73401010
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
SMILESCN1CCN(C(=O)C(Cc2ccccc2)NC(=O)N2CCn3c2nc2ccccc23)CC1
InChIInChI=1S/C24H28N6O2/c1-27-11-13-28(14-12-27)22(31)20(17-18-7-3-2-4-8-18)26-24(32)30-16-15-29-21-10-6-5-9-19(21)25-23(29)30/h2-10,20H,11-17H2,1H3,(H,26,32)
InChIKeySDTDVCROTUNWEX-UHFFFAOYSA-N
XLogP1.95
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoic acid
CID 47001220
2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 78593191
2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-4-methylpentanoyl]amino]propanoic acid
CID 78593148
(2R)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoic acid
CID 92506559
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-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 78530236
2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoyl]amino]-3-methylpentanoic acid
CID 73256640
N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 20865758
[(2R)-3-[4-(benzylamino)phenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 174220120
2-[[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 73400196
(2S)-2-[[(2S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylbutanoyl]amino]-4-methylpentanoate
CID 8016047

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide (CID 73401010) is N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide is CN1CCN(C(=O)C(Cc2ccccc2)NC(=O)N2CCn3c2nc2ccccc23)CC1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
The InChIKey is SDTDVCROTUNWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-27-11-13-28(14-12-27)22(31)20(17-18-7-3-2-4-8-18)26-24(32)30-16-15-29-21-10-6-5-9-19(21)25-23(29)30/h2-10,20H,11-17H2,1H3,(H,26,32).
What are the key properties of N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide?
N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide is sourced from PubChem (CID 73401010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).