1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C21H21N3O2 — CID 20587799

IUPAC1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCc1cc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1C
InChIInChI=1S/C21H21N3O2/c1-13-11-17-18(12-14(13)2)23-20(22-17)24-9-7-21(8-10-24)16-6-4-3-5-15(16)19(25)26-21/h3-6,11-12H,7-10H2,1-2H3,(H,22,23)
InChIKeyRDJJUXMRGNTCEE-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.85
Rot. Bonds1

About 1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 20587799) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID20587799
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCc1cc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1C
InChIInChI=1S/C21H21N3O2/c1-13-11-17-18(12-14(13)2)23-20(22-17)24-9-7-21(8-10-24)16-6-4-3-5-15(16)19(25)26-21/h3-6,11-12H,7-10H2,1-2H3,(H,22,23)
InChIKeyRDJJUXMRGNTCEE-UHFFFAOYSA-N
XLogP3.85
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 20587799) is 1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is Cc1cc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1C.
What is the InChIKey of 1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is RDJJUXMRGNTCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-11-17-18(12-14(13)2)23-20(22-17)24-9-7-21(8-10-24)16-6-4-3-5-15(16)19(25)26-21/h3-6,11-12H,7-10H2,1-2H3,(H,22,23).
What are the key properties of 1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 347.42 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5,6-dimethyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 20587799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).