1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one

C23H26N4O3 — CID 75116788

IUPAC1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one
SMILESCc1nc2c(OC(C)C(=O)N3CCN(C(=O)c4ccccc4)CC3C)cccc2[nH]1
InChIInChI=1S/C23H26N4O3/c1-15-14-26(23(29)18-8-5-4-6-9-18)12-13-27(15)22(28)16(2)30-20-11-7-10-19-21(20)25-17(3)24-19/h4-11,15-16H,12-14H2,1-3H3,(H,24,25)
InChIKeyNEHXLWBZDUOFAT-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.01
Rot. Bonds4

About 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one

1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one (PubChem CID 75116788) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one.

Molecular Properties

Compound Name1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one
PubChem CID75116788
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one
SMILESCc1nc2c(OC(C)C(=O)N3CCN(C(=O)c4ccccc4)CC3C)cccc2[nH]1
InChIInChI=1S/C23H26N4O3/c1-15-14-26(23(29)18-8-5-4-6-9-18)12-13-27(15)22(28)16(2)30-20-11-7-10-19-21(20)25-17(3)24-19/h4-11,15-16H,12-14H2,1-3H3,(H,24,25)
InChIKeyNEHXLWBZDUOFAT-UHFFFAOYSA-N
XLogP3.01
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(2-chloroquinolin-5-yl)oxypropan-1-one
CID 72615169
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[2-methyl-3-(1-methylpyrazol-3-yl)phenoxy]propan-1-one
CID 72615205
methyl 5-[1-(4-benzoyl-2-methylpiperazin-1-yl)-1-oxopropan-2-yl]oxyquinoline-2-carboxylate
CID 72615225
(2-methyl-1H-benzimidazol-4-yl)-[3-methyl-4-(2-methyl-1H-benzimidazole-4-carbonyl)piperazin-1-yl]methanone
CID 154833724
(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(2-oxidoisoquinolin-2-ium-5-yl)oxypropan-1-one
CID 143003521
N-[4-[1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-3-methoxyphenyl]methanesulfonamide
CID 59988104
5-[(2S)-1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-8-fluoro-N-methylisoquinoline-1-carboxamide
CID 45487395
1-(4-benzoyl-2-methylpiperazin-1-yl)propane-1,2-dione
CID 23568523
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(5-methoxyquinolin-2-yl)ethane-1,2-dione
CID 5280294
(3S)-4-benzoyl-3-methylpiperazine-1-carboxylic acid
CID 68755834
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione
CID 506286
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-isocyanoethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one?
The IUPAC name of 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one (CID 75116788) is 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one.
What is the SMILES notation for 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one?
The canonical SMILES for 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one is Cc1nc2c(OC(C)C(=O)N3CCN(C(=O)c4ccccc4)CC3C)cccc2[nH]1.
What is the InChIKey of 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one?
The InChIKey is NEHXLWBZDUOFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-14-26(23(29)18-8-5-4-6-9-18)12-13-27(15)22(28)16(2)30-20-11-7-10-19-21(20)25-17(3)24-19/h4-11,15-16H,12-14H2,1-3H3,(H,24,25).
What are the key properties of 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one?
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one has a molecular weight of 406.49 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one is sourced from PubChem (CID 75116788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).