N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide

C21H25N3O2 — CID 17031952

IUPACN-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1c(COc2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C21H25N3O2/c1-3-4-12-22-21(25)14-24-19-11-6-5-10-18(19)23-20(24)15-26-17-9-7-8-16(2)13-17/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,22,25)
InChIKeyDIVPIHNMCZQILV-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.84
Rot. Bonds8

About N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide

N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide (PubChem CID 17031952) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
PubChem CID17031952
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1c(COc2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C21H25N3O2/c1-3-4-12-22-21(25)14-24-19-11-6-5-10-18(19)23-20(24)15-26-17-9-7-8-16(2)13-17/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,22,25)
InChIKeyDIVPIHNMCZQILV-UHFFFAOYSA-N
XLogP3.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 112767743
2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 16997962
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030796
N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031971
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24583706
N-(2-methoxyethyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 35805150
N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032304
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032573
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 33333737
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211
2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799713

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide (CID 17031952) is N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide is CCCCNC(=O)Cn1c(COc2cccc(C)c2)nc2ccccc21.
What is the InChIKey of N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is DIVPIHNMCZQILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-4-12-22-21(25)14-24-19-11-6-5-10-18(19)23-20(24)15-26-17-9-7-8-16(2)13-17/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,22,25).
What are the key properties of N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide?
N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17031952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).