furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone

C18H19N3O2 — CID 91822619

IUPACfuran-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCn1c(C2CCCCN2C(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C18H19N3O2/c1-20-14-8-3-2-7-13(14)19-17(20)15-9-4-5-11-21(15)18(22)16-10-6-12-23-16/h2-3,6-8,10,12,15H,4-5,9,11H2,1H3
InChIKeyTXQFCGPZZQWXID-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.53
Rot. Bonds2

About furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone

furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 91822619) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID91822619
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Namefuran-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCn1c(C2CCCCN2C(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C18H19N3O2/c1-20-14-8-3-2-7-13(14)19-17(20)15-9-4-5-11-21(15)18(22)16-10-6-12-23-16/h2-3,6-8,10,12,15H,4-5,9,11H2,1H3
InChIKeyTXQFCGPZZQWXID-UHFFFAOYSA-N
XLogP3.53
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 51966220
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 94640308
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571162
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571163
(4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 139001864
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 52536369
1-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94640388
methyl 2,4-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 71937675
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 125123416
[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 96579442
4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 75490065

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 91822619) is furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone is Cn1c(C2CCCCN2C(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is TXQFCGPZZQWXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-20-14-8-3-2-7-13(14)19-17(20)15-9-4-5-11-21(15)18(22)16-10-6-12-23-16/h2-3,6-8,10,12,15H,4-5,9,11H2,1H3.
What are the key properties of furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 309.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91822619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).