[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone

C26H27N3O4 — CID 91946931

IUPAC[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(OCc2ccc(C(=O)N3CCCC(c4nc5ccccc5n4C)C3)o2)cc1
InChIInChI=1S/C26H27N3O4/c1-28-23-8-4-3-7-22(23)27-25(28)18-6-5-15-29(16-18)26(30)24-14-13-21(33-24)17-32-20-11-9-19(31-2)10-12-20/h3-4,7-14,18H,5-6,15-17H2,1-2H3
InChIKeyATBWUAIXINJLMS-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.77
Rot. Bonds6

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

[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 91946931) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is [5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID91946931
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(OCc2ccc(C(=O)N3CCCC(c4nc5ccccc5n4C)C3)o2)cc1
InChIInChI=1S/C26H27N3O4/c1-28-23-8-4-3-7-22(23)27-25(28)18-6-5-15-29(16-18)26(30)24-14-13-21(33-24)17-32-20-11-9-19(31-2)10-12-20/h3-4,7-14,18H,5-6,15-17H2,1-2H3
InChIKeyATBWUAIXINJLMS-UHFFFAOYSA-N
XLogP4.77
TPSA69.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone
CID 91947097
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
(3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947166
2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 51137878
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 99950414
2-(3,5-dimethylphenoxy)-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91946926
[5-(naphthalen-2-yloxymethyl)furan-2-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56579512
[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975918
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183
(3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
CID 119377660

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 91946931) is [5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone is COc1ccc(OCc2ccc(C(=O)N3CCCC(c4nc5ccccc5n4C)C3)o2)cc1.
What is the InChIKey of [5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is ATBWUAIXINJLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-28-23-8-4-3-7-22(23)27-25(28)18-6-5-15-29(16-18)26(30)24-14-13-21(33-24)17-32-20-11-9-19(31-2)10-12-20/h3-4,7-14,18H,5-6,15-17H2,1-2H3.
What are the key properties of [5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 445.52 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91946931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).