(5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C14H18N4O2 — CID 120878370

IUPAC(5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCNCC2c2nccn2C)o1
InChIInChI=1S/C14H18N4O2/c1-10-3-4-12(20-10)14(19)18-8-5-15-9-11(18)13-16-6-7-17(13)2/h3-4,6-7,11,15H,5,8-9H2,1-2H3
InChIKeyCBFIOSVGXHTVFU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.11
Rot. Bonds2

About (5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

(5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 120878370) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID120878370
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCNCC2c2nccn2C)o1
InChIInChI=1S/C14H18N4O2/c1-10-3-4-12(20-10)14(19)18-8-5-15-9-11(18)13-16-6-7-17(13)2/h3-4,6-7,11,15H,5,8-9H2,1-2H3
InChIKeyCBFIOSVGXHTVFU-UHFFFAOYSA-N
XLogP1.11
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride
CID 120879171
[5-(2-chlorophenyl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120878800
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
1-benzofuran-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877663
[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120878469
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 120877871
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879020
N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 120878564
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 120878917
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 120879950

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 120878370) is (5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCNCC2c2nccn2C)o1.
What is the InChIKey of (5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is CBFIOSVGXHTVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-3-4-12(20-10)14(19)18-8-5-15-9-11(18)13-16-6-7-17(13)2/h3-4,6-7,11,15H,5,8-9H2,1-2H3.
What are the key properties of (5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
(5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 274.32 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 120878370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).