2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3,5-trimethyl-3H-1-benzofuran-2-yl)ethyl]pyridine

C21H25N3O — CID 67771633

IUPAC2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3,5-trimethyl-3H-1-benzofuran-2-yl)ethyl]pyridine
SMILESCc1ccc2c(c1)C(C)C(C)(C(CC1=NCCN1)c1ccccn1)O2
InChIInChI=1S/C21H25N3O/c1-14-7-8-19-16(12-14)15(2)21(3,25-19)17(13-20-23-10-11-24-20)18-6-4-5-9-22-18/h4-9,12,15,17H,10-11,13H2,1-3H3,(H,23,24)
InChIKeyUHJWMCATVLPYOL-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.82
Rot. Bonds4

About 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3,5-trimethyl-3H-1-benzofuran-2-yl)ethyl]pyridine

2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3,5-trimethyl-3H-1-benzofuran-2-yl)ethyl]pyridine (PubChem CID 67771633) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3,5-trimethyl-3H-1-benzofuran-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3,5-trimethyl-3H-1-benzofuran-2-yl)ethyl]pyridine
PubChem CID67771633
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3,5-trimethyl-3H-1-benzofuran-2-yl)ethyl]pyridine
SMILESCc1ccc2c(c1)C(C)C(C)(C(CC1=NCCN1)c1ccccn1)O2
InChIInChI=1S/C21H25N3O/c1-14-7-8-19-16(12-14)15(2)21(3,25-19)17(13-20-23-10-11-24-20)18-6-4-5-9-22-18/h4-9,12,15,17H,10-11,13H2,1-3H3,(H,23,24)
InChIKeyUHJWMCATVLPYOL-UHFFFAOYSA-N
XLogP3.82
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3,5-trimethyl-3H-1-benzofuran-2-yl)ethyl]pyridine?
The IUPAC name of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3,5-trimethyl-3H-1-benzofuran-2-yl)ethyl]pyridine (CID 67771633) is 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3,5-trimethyl-3H-1-benzofuran-2-yl)ethyl]pyridine.
What is the SMILES notation for 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3,5-trimethyl-3H-1-benzofuran-2-yl)ethyl]pyridine?
The canonical SMILES for 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3,5-trimethyl-3H-1-benzofuran-2-yl)ethyl]pyridine is Cc1ccc2c(c1)C(C)C(C)(C(CC1=NCCN1)c1ccccn1)O2.
What is the InChIKey of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3,5-trimethyl-3H-1-benzofuran-2-yl)ethyl]pyridine?
The InChIKey is UHJWMCATVLPYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-14-7-8-19-16(12-14)15(2)21(3,25-19)17(13-20-23-10-11-24-20)18-6-4-5-9-22-18/h4-9,12,15,17H,10-11,13H2,1-3H3,(H,23,24).
What are the key properties of 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3,5-trimethyl-3H-1-benzofuran-2-yl)ethyl]pyridine?
2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3,5-trimethyl-3H-1-benzofuran-2-yl)ethyl]pyridine has a molecular weight of 335.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2,3,5-trimethyl-3H-1-benzofuran-2-yl)ethyl]pyridine is sourced from PubChem (CID 67771633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).