N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

C25H27N3O3 — CID 16975478

IUPACN-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCC(C)c1ccccc1OCCn1c(CCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C25H27N3O3/c1-18(2)19-8-3-6-11-22(19)31-17-15-28-21-10-5-4-9-20(21)27-24(28)13-14-26-25(29)23-12-7-16-30-23/h3-12,16,18H,13-15,17H2,1-2H3,(H,26,29)
InChIKeyQYNGWNQGWLGYHT-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.80
Rot. Bonds9

About N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 16975478) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID16975478
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCC(C)c1ccccc1OCCn1c(CCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C25H27N3O3/c1-18(2)19-8-3-6-11-22(19)31-17-15-28-21-10-5-4-9-20(21)27-24(28)13-14-26-25(29)23-12-7-16-30-23/h3-12,16,18H,13-15,17H2,1-2H3,(H,26,29)
InChIKeyQYNGWNQGWLGYHT-UHFFFAOYSA-N
XLogP4.80
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16981992
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975480
N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975510
N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973914
N-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619791
N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994673
2-(4-methoxyphenyl)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979608
2-(2-chlorophenyl)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979284
N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754686
2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976138
N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965931
2-ethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981004

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 16975478) is N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is CC(C)c1ccccc1OCCn1c(CCNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is QYNGWNQGWLGYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18(2)19-8-3-6-11-22(19)31-17-15-28-21-10-5-4-9-20(21)27-24(28)13-14-26-25(29)23-12-7-16-30-23/h3-12,16,18H,13-15,17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 16975478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).