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2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide

C25H32N4O3 — CID 50751924

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1nc2cc(NC(=O)COc3ccccc3C)ccc2n1C
InChIInChI=1S/C25H32N4O3/c1-5-18(6-2)25(31)26-14-13-23-28-20-15-19(11-12-21(20)29(23)4)27-24(30)16-32-22-10-8-7-9-17(22)3/h7-12,15,18H,5-6,13-14,16H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyUMTTUDYTMFMDKS-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.99
Rot. Bonds10

About 2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide

2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide (PubChem CID 50751924) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide
PubChem CID50751924
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1nc2cc(NC(=O)COc3ccccc3C)ccc2n1C
InChIInChI=1S/C25H32N4O3/c1-5-18(6-2)25(31)26-14-13-23-28-20-15-19(11-12-21(20)29(23)4)27-24(30)16-32-22-10-8-7-9-17(22)3/h7-12,15,18H,5-6,13-14,16H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyUMTTUDYTMFMDKS-UHFFFAOYSA-N
XLogP3.99
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide (CID 50751924) is 2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide is CCC(CC)C(=O)NCCc1nc2cc(NC(=O)COc3ccccc3C)ccc2n1C.
What is the InChIKey of 2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is UMTTUDYTMFMDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-5-18(6-2)25(31)26-14-13-23-28-20-15-19(11-12-21(20)29(23)4)27-24(30)16-32-22-10-8-7-9-17(22)3/h7-12,15,18H,5-6,13-14,16H2,1-4H3,(H,26,31)(H,27,30).
What are the key properties of 2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide?
2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 436.56 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 50751924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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