N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide

C26H29N3O4 — CID 16994673

IUPACN-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
SMILESCOc1ccccc1OCCn1c(CCCCCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C26H29N3O4/c1-31-22-12-6-7-13-23(22)33-19-17-29-21-11-5-4-10-20(21)28-25(29)15-3-2-8-16-27-26(30)24-14-9-18-32-24/h4-7,9-14,18H,2-3,8,15-17,19H2,1H3,(H,27,30)
InChIKeyMGJULOLXRIWQER-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.86
Rot. Bonds12

About N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide

N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide (PubChem CID 16994673) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
PubChem CID16994673
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
SMILESCOc1ccccc1OCCn1c(CCCCCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C26H29N3O4/c1-31-22-12-6-7-13-23(22)33-19-17-29-21-11-5-4-10-20(21)28-25(29)15-3-2-8-16-27-26(30)24-14-9-18-32-24/h4-7,9-14,18H,2-3,8,15-17,19H2,1H3,(H,27,30)
InChIKeyMGJULOLXRIWQER-UHFFFAOYSA-N
XLogP4.86
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975480
N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754686
N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994676
N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754691
2-methoxy-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990191
N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994722
N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16981992
N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975478
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994651
N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990299
N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975510
2-(2-chlorophenyl)-N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993701

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?
The IUPAC name of N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide (CID 16994673) is N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide is COc1ccccc1OCCn1c(CCCCCNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?
The InChIKey is MGJULOLXRIWQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-31-22-12-6-7-13-23(22)33-19-17-29-21-11-5-4-10-20(21)28-25(29)15-3-2-8-16-27-26(30)24-14-9-18-32-24/h4-7,9-14,18H,2-3,8,15-17,19H2,1H3,(H,27,30).
What are the key properties of N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide?
N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 4.86, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide is sourced from PubChem (CID 16994673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).