1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole

C19H23N3O — CID 22274535

IUPAC1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole
SMILESCC1CCCN1CCc1cc2cccc(-c3cn(C)cn3)c2o1
InChIInChI=1S/C19H23N3O/c1-14-5-4-9-22(14)10-8-16-11-15-6-3-7-17(19(15)23-16)18-12-21(2)13-20-18/h3,6-7,11-14H,4-5,8-10H2,1-2H3
InChIKeyHNGPWXZIXJADNH-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.86
Rot. Bonds4

About 1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole

1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole (PubChem CID 22274535) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole.

Molecular Properties

Compound Name1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole
PubChem CID22274535
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole
SMILESCC1CCCN1CCc1cc2cccc(-c3cn(C)cn3)c2o1
InChIInChI=1S/C19H23N3O/c1-14-5-4-9-22(14)10-8-16-11-15-6-3-7-17(19(15)23-16)18-12-21(2)13-20-18/h3,6-7,11-14H,4-5,8-10H2,1-2H3
InChIKeyHNGPWXZIXJADNH-UHFFFAOYSA-N
XLogP3.86
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-7-yl]-1H-benzimidazole
CID 23404472
4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine
CID 67533472
1-[2-[5-(3,4-dichlorophenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
CID 22274451
CID 70819125
CID 70819125
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile
CID 67534035
(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
1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-2-one
CID 70002896
8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline
CID 11382727
4-[2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile
CID 11255988
1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
CID 70002987
(4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone
CID 22274484

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole?
The IUPAC name of 1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole (CID 22274535) is 1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole.
What is the SMILES notation for 1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole?
The canonical SMILES for 1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole is CC1CCCN1CCc1cc2cccc(-c3cn(C)cn3)c2o1.
What is the InChIKey of 1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole?
The InChIKey is HNGPWXZIXJADNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-5-4-9-22(14)10-8-16-11-15-6-3-7-17(19(15)23-16)18-12-21(2)13-20-18/h3,6-7,11-14H,4-5,8-10H2,1-2H3.
What are the key properties of 1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole?
1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole has a molecular weight of 309.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole is sourced from PubChem (CID 22274535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).