2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide

C20H22ClN3O2 — CID 17031855

IUPAC2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1c(COc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H22ClN3O2/c1-14(2)11-22-20(25)12-24-17-9-5-4-8-16(17)23-19(24)13-26-18-10-6-3-7-15(18)21/h3-10,14H,11-13H2,1-2H3,(H,22,25)
InChIKeyWFWFJPQUCSVIQJ-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.04
Rot. Bonds7

About 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide

2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 17031855) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID17031855
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1c(COc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H22ClN3O2/c1-14(2)11-22-20(25)12-24-17-9-5-4-8-16(17)23-19(24)13-26-18-10-6-3-7-15(18)21/h3-10,14H,11-13H2,1-2H3,(H,22,25)
InChIKeyWFWFJPQUCSVIQJ-UHFFFAOYSA-N
XLogP4.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 17031904
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17031857
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide
CID 17031853
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031896
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide
CID 78857564
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17031887
2-[(2-chlorophenoxy)methyl]-1-prop-2-ynylbenzimidazole
CID 16997288
2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole
CID 16997296
N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17006243
1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997302
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 16997427
2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17032224

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide (CID 17031855) is 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1c(COc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is WFWFJPQUCSVIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-14(2)11-22-20(25)12-24-17-9-5-4-8-16(17)23-19(24)13-26-18-10-6-3-7-15(18)21/h3-10,14H,11-13H2,1-2H3,(H,22,25).
What are the key properties of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide?
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 371.87 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 17031855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).