N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide

C26H25N3O3 — CID 4780870

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide
SMILESCC(C)C(NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C26H25N3O3/c1-17(2)24(26-27-21-10-6-7-11-22(21)28-26)29-23(30)16-32-20-14-12-19(13-15-20)25(31)18-8-4-3-5-9-18/h3-15,17,24H,16H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyMQASXBMLGSHQLX-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.69
Rot. Bonds8

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide (PubChem CID 4780870) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide
PubChem CID4780870
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide
SMILESCC(C)C(NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C26H25N3O3/c1-17(2)24(26-27-21-10-6-7-11-22(21)28-26)29-23(30)16-32-20-14-12-19(13-15-20)25(31)18-8-4-3-5-9-18/h3-15,17,24H,16H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyMQASXBMLGSHQLX-UHFFFAOYSA-N
XLogP4.69
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
2-(4-anilinophenoxy)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 40716491
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18124163
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide
CID 55595818
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 60543061
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 43889769
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 75489295
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide (CID 4780870) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide is CC(C)C(NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide?
The InChIKey is MQASXBMLGSHQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-17(2)24(26-27-21-10-6-7-11-22(21)28-26)29-23(30)16-32-20-14-12-19(13-15-20)25(31)18-8-4-3-5-9-18/h3-15,17,24H,16H2,1-2H3,(H,27,28)(H,29,30).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide has a molecular weight of 427.50 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide is sourced from PubChem (CID 4780870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).