4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole

C22H23N3O — CID 23404472

IUPAC4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole
SMILESC[C@@H]1CCCN1CCc1cc2cccc(-c3cccc4[nH]cnc34)c2o1
InChIInChI=1S/C22H23N3O/c1-15-5-4-11-25(15)12-10-17-13-16-6-2-8-19(22(16)26-17)18-7-3-9-20-21(18)24-14-23-20/h2-3,6-9,13-15H,4-5,10-12H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyMQQRHDOVERRLJK-OAHLLOKOSA-N
MW345.45 g/mol
LogP5.00
Rot. Bonds4

About 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole

4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole (PubChem CID 23404472) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole.

Molecular Properties

Compound Name4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole
PubChem CID23404472
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole
SMILESC[C@@H]1CCCN1CCc1cc2cccc(-c3cccc4[nH]cnc34)c2o1
InChIInChI=1S/C22H23N3O/c1-15-5-4-11-25(15)12-10-17-13-16-6-2-8-19(22(16)26-17)18-7-3-9-20-21(18)24-14-23-20/h2-3,6-9,13-15H,4-5,10-12H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyMQQRHDOVERRLJK-OAHLLOKOSA-N
XLogP5.00
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole
CID 22274535
4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine
CID 67533472
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile
CID 67534035
8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline
CID 11382727
1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
CID 70002987
1-[2-[5-(3,4-dichlorophenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
CID 22274451
CID 70819125
CID 70819125
(2R)-2-methyl-1-[2-[7-[(11R)-spiro[7H-benzo[c][1]benzothiepine-11,2'-cyclopropane]-1'-yl]-1-benzofuran-2-yl]ethyl]pyrrolidine
CID 70011575
1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
CID 22274458
4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole
CID 175461908
1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-2-one
CID 70002896
(E)-N-ethoxy-1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]ethanimine
CID 87435506

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole?
The IUPAC name of 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole (CID 23404472) is 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole.
What is the SMILES notation for 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole?
The canonical SMILES for 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole is C[C@@H]1CCCN1CCc1cc2cccc(-c3cccc4[nH]cnc34)c2o1.
What is the InChIKey of 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole?
The InChIKey is MQQRHDOVERRLJK-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-5-4-11-25(15)12-10-17-13-16-6-2-8-19(22(16)26-17)18-7-3-9-20-21(18)24-14-23-20/h2-3,6-9,13-15H,4-5,10-12H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole?
4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole has a molecular weight of 345.45 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole is sourced from PubChem (CID 23404472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).