N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide

C26H27N3O4 — CID 3992919

IUPACN-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C26H27N3O4/c1-18-7-3-6-10-25(18)33-17-26(31)28-20-11-13-22(14-12-20)32-16-21(30)15-29-19(2)27-23-8-4-5-9-24(23)29/h3-14,21,30H,15-17H2,1-2H3,(H,28,31)
InChIKeyXGPXAMAYPBOUAV-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.11
Rot. Bonds9

About N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide

N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 3992919) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide
PubChem CID3992919
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C26H27N3O4/c1-18-7-3-6-10-25(18)33-17-26(31)28-20-11-13-22(14-12-20)32-16-21(30)15-29-19(2)27-23-8-4-5-9-24(23)29/h3-14,21,30H,15-17H2,1-2H3,(H,28,31)
InChIKeyXGPXAMAYPBOUAV-UHFFFAOYSA-N
XLogP4.11
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095
(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2062293
1-(2,3-dimethylphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 46270242
1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone
CID 1090509
(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 879417
(2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 877426
1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol
CID 42942526
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
N-[4-(2-methoxyethoxy)phenyl]-2-(2-methylphenoxy)acetamide
CID 17340393
1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960886
1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 43841729
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 7309443

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide (CID 3992919) is N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1.
What is the InChIKey of N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is XGPXAMAYPBOUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-18-7-3-6-10-25(18)33-17-26(31)28-20-11-13-22(14-12-20)32-16-21(30)15-29-19(2)27-23-8-4-5-9-24(23)29/h3-14,21,30H,15-17H2,1-2H3,(H,28,31).
What are the key properties of N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide?
N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 445.52 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 3992919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).