furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

C18H19N3O2 — CID 647639

IUPACfuran-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc2nc(C3CCN(C(=O)c4ccco4)CC3)[nH]c2c1
InChIInChI=1S/C18H19N3O2/c1-12-4-5-14-15(11-12)20-17(19-14)13-6-8-21(9-7-13)18(22)16-3-2-10-23-16/h2-5,10-11,13H,6-9H2,1H3,(H,19,20)
InChIKeySUUPGJAZQCKFAG-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.48
Rot. Bonds2

About furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 647639) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID647639
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Namefuran-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc2nc(C3CCN(C(=O)c4ccco4)CC3)[nH]c2c1
InChIInChI=1S/C18H19N3O2/c1-12-4-5-14-15(11-12)20-17(19-14)13-6-8-21(9-7-13)18(22)16-3-2-10-23-16/h2-5,10-11,13H,6-9H2,1H3,(H,19,20)
InChIKeySUUPGJAZQCKFAG-UHFFFAOYSA-N
XLogP3.48
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756879
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872
(2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 1430066
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
1-(furan-2-yl)-2-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethane-1,2-dione
CID 99996532
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 108733646
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 129428981
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 108733624
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 33119811

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (CID 647639) is furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is Cc1ccc2nc(C3CCN(C(=O)c4ccco4)CC3)[nH]c2c1.
What is the InChIKey of furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is SUUPGJAZQCKFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-4-5-14-15(11-12)20-17(19-14)13-6-8-21(9-7-13)18(22)16-3-2-10-23-16/h2-5,10-11,13H,6-9H2,1H3,(H,19,20).
What are the key properties of furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 309.37 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 647639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).