2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole

C21H20N2O3 — CID 17000191

IUPAC2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
SMILESCOc1cccc(OCCCn2c(-c3ccco3)nc3ccccc32)c1
InChIInChI=1S/C21H20N2O3/c1-24-16-7-4-8-17(15-16)25-14-6-12-23-19-10-3-2-9-18(19)22-21(23)20-11-5-13-26-20/h2-5,7-11,13,15H,6,12,14H2,1H3
InChIKeySGSHCXLKNXENTQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.77
Rot. Bonds7

About 2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole

2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole (PubChem CID 17000191) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
PubChem CID17000191
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
SMILESCOc1cccc(OCCCn2c(-c3ccco3)nc3ccccc32)c1
InChIInChI=1S/C21H20N2O3/c1-24-16-7-4-8-17(15-16)25-14-6-12-23-19-10-3-2-9-18(19)22-21(23)20-11-5-13-26-20/h2-5,7-11,13,15H,6,12,14H2,1H3
InChIKeySGSHCXLKNXENTQ-UHFFFAOYSA-N
XLogP4.77
TPSA49.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole
CID 17000200
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765
2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16987595
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975498
2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole
CID 17000188
1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996152
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973541
2-(furan-2-yl)-1-hexylbenzimidazole
CID 17000135
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176
2-(2-fluorophenyl)-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 19243301
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole?
The IUPAC name of 2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole (CID 17000191) is 2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole is COc1cccc(OCCCn2c(-c3ccco3)nc3ccccc32)c1.
What is the InChIKey of 2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole?
The InChIKey is SGSHCXLKNXENTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-24-16-7-4-8-17(15-16)25-14-6-12-23-19-10-3-2-9-18(19)22-21(23)20-11-5-13-26-20/h2-5,7-11,13,15H,6,12,14H2,1H3.
What are the key properties of 2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole?
2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole has a molecular weight of 348.40 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole is sourced from PubChem (CID 17000191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).