3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one

C24H22N4O4 — CID 166194318

IUPAC3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1-c1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1
InChIInChI=1S/C24H22N4O4/c1-16-15-25-24(31)28(16)19-8-6-17(7-9-19)22(29)26-10-12-27(13-11-26)23(30)21-14-18-4-2-3-5-20(18)32-21/h2-9,14-15H,10-13H2,1H3,(H,25,31)
InChIKeyPBGDAVPCSFNYDB-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.82
Rot. Bonds3

About 3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one

3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one (PubChem CID 166194318) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one
PubChem CID166194318
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1-c1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1
InChIInChI=1S/C24H22N4O4/c1-16-15-25-24(31)28(16)19-8-6-17(7-9-19)22(29)26-10-12-27(13-11-26)23(30)21-14-18-4-2-3-5-20(18)32-21/h2-9,14-15H,10-13H2,1H3,(H,25,31)
InChIKeyPBGDAVPCSFNYDB-UHFFFAOYSA-N
XLogP2.82
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2575317
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
4-methyl-3-[4-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]-1H-imidazol-2-one
CID 55986954
3-[4-(4-methylbenzoyl)piperazine-1-carbonyl]chromen-2-one
CID 39572437
1-benzofuran-2-yl-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7640327
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 46416874
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
1-benzofuran-2-yl-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2889798
1-benzofuran-2-yl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 137344025
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one?
The IUPAC name of 3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one (CID 166194318) is 3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one is Cc1c[nH]c(=O)n1-c1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1.
What is the InChIKey of 3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one?
The InChIKey is PBGDAVPCSFNYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-16-15-25-24(31)28(16)19-8-6-17(7-9-19)22(29)26-10-12-27(13-11-26)23(30)21-14-18-4-2-3-5-20(18)32-21/h2-9,14-15H,10-13H2,1H3,(H,25,31).
What are the key properties of 3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one?
3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one has a molecular weight of 430.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 166194318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).