furan-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone

C17H19N5O2 — CID 70752790

IUPACfuran-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone
SMILESCc1[nH]cnc1-c1nccn1C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C17H19N5O2/c1-12-15(20-11-19-12)16-18-6-8-22(16)13-4-2-7-21(10-13)17(23)14-5-3-9-24-14/h3,5-6,8-9,11,13H,2,4,7,10H2,1H3,(H,19,20)
InChIKeyMRVBIJFWZQSQFD-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.65
Rot. Bonds3

About furan-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone

furan-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone (PubChem CID 70752790) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is furan-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone
PubChem CID70752790
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Namefuran-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone
SMILESCc1[nH]cnc1-c1nccn1C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C17H19N5O2/c1-12-15(20-11-19-12)16-18-6-8-22(16)13-4-2-7-21(10-13)17(23)14-5-3-9-24-14/h3,5-6,8-9,11,13H,2,4,7,10H2,1H3,(H,19,20)
InChIKeyMRVBIJFWZQSQFD-UHFFFAOYSA-N
XLogP2.65
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze furan-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

2-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]pyrimidine
CID 70753087
furan-2-yl-[(3S)-3-(4-phenyl-5-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95122647
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95335476
[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 134697643
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 95341170
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131939712
ethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate
CID 97150039
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone
CID 95978611

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone (CID 70752790) is furan-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone is Cc1[nH]cnc1-c1nccn1C1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of furan-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is MRVBIJFWZQSQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-15(20-11-19-12)16-18-6-8-22(16)13-4-2-7-21(10-13)17(23)14-5-3-9-24-14/h3,5-6,8-9,11,13H,2,4,7,10H2,1H3,(H,19,20).
What are the key properties of furan-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone?
furan-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 325.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70752790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).