(5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone

C25H26N4O2 — CID 46972171

IUPAC(5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone
SMILESCc1ccc2oc(C(=O)N3CCN(C(c4ccccc4)c4nccn4C)CC3)cc2c1
InChIInChI=1S/C25H26N4O2/c1-18-8-9-21-20(16-18)17-22(31-21)25(30)29-14-12-28(13-15-29)23(19-6-4-3-5-7-19)24-26-10-11-27(24)2/h3-11,16-17,23H,12-15H2,1-2H3
InChIKeyVYQLGSRJJUDXKI-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.02
Rot. Bonds4

About (5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone

(5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone (PubChem CID 46972171) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is (5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone
PubChem CID46972171
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name(5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone
SMILESCc1ccc2oc(C(=O)N3CCN(C(c4ccccc4)c4nccn4C)CC3)cc2c1
InChIInChI=1S/C25H26N4O2/c1-18-8-9-21-20(16-18)17-22(31-21)25(30)29-14-12-28(13-15-29)23(19-6-4-3-5-7-19)24-26-10-11-27(24)2/h3-11,16-17,23H,12-15H2,1-2H3
InChIKeyVYQLGSRJJUDXKI-UHFFFAOYSA-N
XLogP4.02
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 25284842
1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine
CID 12063609
1-(5-methyl-1-benzofuran-2-carbonyl)piperidin-4-one
CID 55012658
[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 92579221
2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 46972601
(1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol
CID 92764522
1-(5-methyl-1-benzofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 55930145
(4R)-5,5-dimethyl-4-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazine-1-carbonyl]oxolan-2-one
CID 92582921
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-1-[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 92564932
(4-hydroxy-4-methylazepan-1-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 107406227
(5-methyl-1-benzofuran-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
CID 119061394
1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 45284243

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone (CID 46972171) is (5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone is Cc1ccc2oc(C(=O)N3CCN(C(c4ccccc4)c4nccn4C)CC3)cc2c1.
What is the InChIKey of (5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone?
The InChIKey is VYQLGSRJJUDXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18-8-9-21-20(16-18)17-22(31-21)25(30)29-14-12-28(13-15-29)23(19-6-4-3-5-7-19)24-26-10-11-27(24)2/h3-11,16-17,23H,12-15H2,1-2H3.
What are the key properties of (5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone?
(5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone has a molecular weight of 414.51 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 46972171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).