1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone

C18H24N4O2 — CID 110772829

IUPAC1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2ccc3nc(C(C)C)[nH]c3c2)CC1
InChIInChI=1S/C18H24N4O2/c1-12(2)18-19-15-5-4-14(10-16(15)20-18)11-17(24)22-8-6-21(7-9-22)13(3)23/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyLIQFKJXRXWOTMP-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.92
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone

1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone (PubChem CID 110772829) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone
PubChem CID110772829
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2ccc3nc(C(C)C)[nH]c3c2)CC1
InChIInChI=1S/C18H24N4O2/c1-12(2)18-19-15-5-4-14(10-16(15)20-18)11-17(24)22-8-6-21(7-9-22)13(3)23/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyLIQFKJXRXWOTMP-UHFFFAOYSA-N
XLogP1.92
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772537
N-(2-acetamidoethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772843
2,2-dimethyl-1-[4-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110801573
N-(2-methoxyethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772819
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 112763003
methyl 3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanoate
CID 99991101
2-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]acetic acid
CID 82498520
1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 56744296
3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide
CID 110785720

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone (CID 110772829) is 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone is CC(=O)N1CCN(C(=O)Cc2ccc3nc(C(C)C)[nH]c3c2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone?
The InChIKey is LIQFKJXRXWOTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(2)18-19-15-5-4-14(10-16(15)20-18)11-17(24)22-8-6-21(7-9-22)13(3)23/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,20).
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone has a molecular weight of 328.42 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone is sourced from PubChem (CID 110772829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).