N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

C25H25N3O3 — CID 16619699

IUPACN-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESC=CCc1ccccc1OCCn1c(C(C)NC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C25H25N3O3/c1-3-9-19-10-4-7-13-22(19)31-17-15-28-21-12-6-5-11-20(21)27-24(28)18(2)26-25(29)23-14-8-16-30-23/h3-8,10-14,16,18H,1,9,15,17H2,2H3,(H,26,29)
InChIKeyQGABOLSVFBIZKQ-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.93
Rot. Bonds9

About N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 16619699) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID16619699
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESC=CCc1ccccc1OCCn1c(C(C)NC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C25H25N3O3/c1-3-9-19-10-4-7-13-22(19)31-17-15-28-21-12-6-5-11-20(21)27-24(28)18(2)26-25(29)23-14-8-16-30-23/h3-8,10-14,16,18H,1,9,15,17H2,2H3,(H,26,29)
InChIKeyQGABOLSVFBIZKQ-UHFFFAOYSA-N
XLogP4.93
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619685
N-[(1S)-1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100788
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750
N-[1-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967385
N-[1-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970050
N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16620623
4-methyl-N-[1-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967273
2-phenoxy-N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16971762
2-(4-chlorophenyl)-N-[1-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973100
2-(4-methoxyphenyl)-N-[1-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972747
N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100824
N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100825

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 16619699) is N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is C=CCc1ccccc1OCCn1c(C(C)NC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is QGABOLSVFBIZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-3-9-19-10-4-7-13-22(19)31-17-15-28-21-12-6-5-11-20(21)27-24(28)18(2)26-25(29)23-14-8-16-30-23/h3-8,10-14,16,18H,1,9,15,17H2,2H3,(H,26,29).
What are the key properties of N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 16619699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).