2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole

C25H26N2O3 — CID 17000212

IUPAC2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole
SMILESC=CCc1ccc(OCCCCn2c(-c3ccco3)nc3ccccc32)c(OC)c1
InChIInChI=1S/C25H26N2O3/c1-3-9-19-13-14-22(24(18-19)28-2)29-16-7-6-15-27-21-11-5-4-10-20(21)26-25(27)23-12-8-17-30-23/h3-5,8,10-14,17-18H,1,6-7,9,15-16H2,2H3
InChIKeyZXOFFGOQQHJDPJ-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.89
Rot. Bonds10

About 2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole

2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole (PubChem CID 17000212) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole
PubChem CID17000212
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole
SMILESC=CCc1ccc(OCCCCn2c(-c3ccco3)nc3ccccc32)c(OC)c1
InChIInChI=1S/C25H26N2O3/c1-3-9-19-13-14-22(24(18-19)28-2)29-16-7-6-15-27-21-11-5-4-10-20(21)26-25(27)23-12-8-17-30-23/h3-5,8,10-14,17-18H,1,6-7,9,15-16H2,2H3
InChIKeyZXOFFGOQQHJDPJ-UHFFFAOYSA-N
XLogP5.89
TPSA49.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazole
CID 17001340
2-(4-bromophenyl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole
CID 17001231
2-(2,4-dichlorophenyl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole
CID 16987782
2-(furan-2-yl)-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole
CID 17000188
2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 17000165
2-(2,4-dimethylphenyl)-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16987566
N-[[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylacetamide
CID 18885701
2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole
CID 18879439
N-[[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide
CID 17005961
2-[(2,5-dimethylphenoxy)methyl]-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazole
CID 16998009
2-methoxy-N-[[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007678
2-methoxy-N-[2-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974644

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole?
The IUPAC name of 2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole (CID 17000212) is 2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole.
What is the SMILES notation for 2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole?
The canonical SMILES for 2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole is C=CCc1ccc(OCCCCn2c(-c3ccco3)nc3ccccc32)c(OC)c1.
What is the InChIKey of 2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole?
The InChIKey is ZXOFFGOQQHJDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-9-19-13-14-22(24(18-19)28-2)29-16-7-6-15-27-21-11-5-4-10-20(21)26-25(27)23-12-8-17-30-23/h3-5,8,10-14,17-18H,1,6-7,9,15-16H2,2H3.
What are the key properties of 2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole?
2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole has a molecular weight of 402.49 g/mol, XLogP of 5.89, 10 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-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole is sourced from PubChem (CID 17000212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).