N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide

C23H23N3O4 — CID 16973914

IUPACN-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESCCOc1ccccc1OCCn1c(CNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C23H23N3O4/c1-2-28-19-10-5-6-11-20(19)30-15-13-26-18-9-4-3-8-17(18)25-22(26)16-24-23(27)21-12-7-14-29-21/h3-12,14H,2,13,15-16H2,1H3,(H,24,27)
InChIKeyDTFUFNKUSMCKLW-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.04
Rot. Bonds9

About N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide

N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 16973914) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
PubChem CID16973914
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
SMILESCCOc1ccccc1OCCn1c(CNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C23H23N3O4/c1-2-28-19-10-5-6-11-20(19)30-15-13-26-18-9-4-3-8-17(18)25-22(26)16-24-23(27)21-12-7-14-29-21/h3-12,14H,2,13,15-16H2,1H3,(H,24,27)
InChIKeyDTFUFNKUSMCKLW-UHFFFAOYSA-N
XLogP4.04
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975480
N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619791
N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975478
4-bromo-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009197
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619678
N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994673
N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969834
N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16981992
N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975510
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylfuran-2-carboxamide
CID 16619351
2-ethyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006400
N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754686

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide (CID 16973914) is N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide is CCOc1ccccc1OCCn1c(CNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is DTFUFNKUSMCKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-2-28-19-10-5-6-11-20(19)30-15-13-26-18-9-4-3-8-17(18)25-22(26)16-24-23(27)21-12-7-14-29-21/h3-12,14H,2,13,15-16H2,1H3,(H,24,27).
What are the key properties of N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide?
N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 16973914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).