N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide

C25H25N3O2 — CID 3653920

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C25H25N3O2/c1-3-17(2)18-10-14-21(15-11-18)30-16-24(29)26-20-12-8-19(9-13-20)25-27-22-6-4-5-7-23(22)28-25/h4-15,17H,3,16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyGQXHKQHUGACNBS-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.76
Rot. Bonds7

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide (PubChem CID 3653920) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide
PubChem CID3653920
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C25H25N3O2/c1-3-17(2)18-10-14-21(15-11-18)30-16-24(29)26-20-12-8-19(9-13-20)25-27-22-6-4-5-7-23(22)28-25/h4-15,17H,3,16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyGQXHKQHUGACNBS-UHFFFAOYSA-N
XLogP5.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 40692441
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1369927
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671033
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 40704455
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide
CID 4959333
N-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide
CID 2080749
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide (CID 3653920) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide is CCC(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide?
The InChIKey is GQXHKQHUGACNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-3-17(2)18-10-14-21(15-11-18)30-16-24(29)26-20-12-8-19(9-13-20)25-27-22-6-4-5-7-23(22)28-25/h4-15,17H,3,16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide has a molecular weight of 399.49 g/mol, XLogP of 5.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide is sourced from PubChem (CID 3653920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).