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

C25H25N3O3 — CID 91947097

IUPAC[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone
SMILESCc1ccc(Oc2ccc(C(=O)N3CCCC(c4nc5ccccc5n4C)C3)o2)cc1
InChIInChI=1S/C25H25N3O3/c1-17-9-11-19(12-10-17)30-23-14-13-22(31-23)25(29)28-15-5-6-18(16-28)24-26-20-7-3-4-8-21(20)27(24)2/h3-4,7-14,18H,5-6,15-16H2,1-2H3
InChIKeyRBVYFGNGZUMEIW-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.29
Rot. Bonds4

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

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone (PubChem CID 91947097) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone.

Molecular Properties

Compound Name[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone
PubChem CID91947097
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone
SMILESCc1ccc(Oc2ccc(C(=O)N3CCCC(c4nc5ccccc5n4C)C3)o2)cc1
InChIInChI=1S/C25H25N3O3/c1-17-9-11-19(12-10-17)30-23-14-13-22(31-23)25(29)28-15-5-6-18(16-28)24-26-20-7-3-4-8-21(20)27(24)2/h3-4,7-14,18H,5-6,15-16H2,1-2H3
InChIKeyRBVYFGNGZUMEIW-UHFFFAOYSA-N
XLogP5.29
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91946931
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 46975714
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
2-(3,5-dimethylphenoxy)-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91946926
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46974543
(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947084
(4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 92626049
[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 92628235

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone?
The IUPAC name of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone (CID 91947097) is [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone.
What is the SMILES notation for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone?
The canonical SMILES for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone is Cc1ccc(Oc2ccc(C(=O)N3CCCC(c4nc5ccccc5n4C)C3)o2)cc1.
What is the InChIKey of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone?
The InChIKey is RBVYFGNGZUMEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-9-11-19(12-10-17)30-23-14-13-22(31-23)25(29)28-15-5-6-18(16-28)24-26-20-7-3-4-8-21(20)27(24)2/h3-4,7-14,18H,5-6,15-16H2,1-2H3.
What are the key properties of [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone?
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone has a molecular weight of 415.49 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[5-(4-methylphenoxy)furan-2-yl]methanone is sourced from PubChem (CID 91947097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).