[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).