[5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone

C24H24N4O3 — CID 42479444

IUPAC[5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCC(n3c(-c4ccccn4)nc4ccccc43)CC2)o1
InChIInChI=1S/C24H24N4O3/c1-30-16-18-9-10-22(31-18)24(29)27-14-11-17(12-15-27)28-21-8-3-2-6-19(21)26-23(28)20-7-4-5-13-25-20/h2-10,13,17H,11-12,14-16H2,1H3
InChIKeyXKMGULPHIPRUBF-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.32
Rot. Bonds5

About [5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone

[5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 42479444) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is [5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID42479444
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name[5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCC(n3c(-c4ccccn4)nc4ccccc43)CC2)o1
InChIInChI=1S/C24H24N4O3/c1-30-16-18-9-10-22(31-18)24(29)27-14-11-17(12-15-27)28-21-8-3-2-6-19(21)26-23(28)20-7-4-5-13-25-20/h2-10,13,17H,11-12,14-16H2,1H3
InChIKeyXKMGULPHIPRUBF-UHFFFAOYSA-N
XLogP4.32
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(methoxymethyl)furan-2-yl]-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42167277
[5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42484331
1-(1-propylpiperidin-4-yl)-2-pyridin-2-ylbenzimidazole
CID 56852643
ethyl 4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050439
[5-(methoxymethyl)furan-2-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70711514
[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 155507941
[5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72841956
ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
CID 78833666
[5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 72871979
CID 91316834
CID 91316834
[5-(methoxymethyl)furan-2-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78882361
[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91946931

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone (CID 42479444) is [5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone is COCc1ccc(C(=O)N2CCC(n3c(-c4ccccn4)nc4ccccc43)CC2)o1.
What is the InChIKey of [5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is XKMGULPHIPRUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-30-16-18-9-10-22(31-18)24(29)27-14-11-17(12-15-27)28-21-8-3-2-6-19(21)26-23(28)20-7-4-5-13-25-20/h2-10,13,17H,11-12,14-16H2,1H3.
What are the key properties of [5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone?
[5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 416.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)furan-2-yl]-[4-(2-pyridin-2-ylbenzimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 42479444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).