(3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone

C25H27N3O2 — CID 91947244

IUPAC(3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCCn1c(C2CCCN(C(=O)c3oc4ccccc4c3C)C2)nc2ccccc21
InChIInChI=1S/C25H27N3O2/c1-3-14-28-21-12-6-5-11-20(21)26-24(28)18-9-8-15-27(16-18)25(29)23-17(2)19-10-4-7-13-22(19)30-23/h4-7,10-13,18H,3,8-9,14-16H2,1-2H3
InChIKeyOJVXLGFZWUJRNX-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.52
Rot. Bonds4

About (3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone

(3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 91947244) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID91947244
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name(3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCCn1c(C2CCCN(C(=O)c3oc4ccccc4c3C)C2)nc2ccccc21
InChIInChI=1S/C25H27N3O2/c1-3-14-28-21-12-6-5-11-20(21)26-24(28)18-9-8-15-27(16-18)25(29)23-17(2)19-10-4-7-13-22(19)30-23/h4-7,10-13,18H,3,8-9,14-16H2,1-2H3
InChIKeyOJVXLGFZWUJRNX-UHFFFAOYSA-N
XLogP5.52
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947243
[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 91947211
(3-methyl-1,2-oxazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947250
oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947350
(1-ethylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947222
(5-cyclopropyl-1-methylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947263
(6-methyl-1,2,4-benzotriazin-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947275
1-(azepan-1-yl)-2-[2-oxo-2-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]ethoxy]ethanone
CID 91947317
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 9291499
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947291
(3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947259
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 91947244) is (3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone is CCCn1c(C2CCCN(C(=O)c3oc4ccccc4c3C)C2)nc2ccccc21.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is OJVXLGFZWUJRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-3-14-28-21-12-6-5-11-20(21)26-24(28)18-9-8-15-27(16-18)25(29)23-17(2)19-10-4-7-13-22(19)30-23/h4-7,10-13,18H,3,8-9,14-16H2,1-2H3.
What are the key properties of (3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone?
(3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 401.51 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzofuran-2-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91947244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).