2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide

C23H20ClN3O3 — CID 17032167

IUPAC2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1
InChIInChI=1S/C23H20ClN3O3/c1-29-19-6-4-5-17(13-19)25-23(28)14-27-21-8-3-2-7-20(21)26-22(27)15-30-18-11-9-16(24)10-12-18/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyUEOLARZUAOKJIZ-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.92
Rot. Bonds7

About 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide

2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 17032167) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID17032167
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1
InChIInChI=1S/C23H20ClN3O3/c1-29-19-6-4-5-17(13-19)25-23(28)14-27-21-8-3-2-7-20(21)26-22(27)15-30-18-11-9-16(24)10-12-18/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyUEOLARZUAOKJIZ-UHFFFAOYSA-N
XLogP4.92
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17031925
N-(3-chlorophenyl)-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031971
N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 36824061
N-(6-methoxy-3-pyridinyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 8001739
N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032268
N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032304
N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031923
N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 60532359
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 26124824
N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 4880410

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide (CID 17032167) is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is UEOLARZUAOKJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-29-19-6-4-5-17(13-19)25-23(28)14-27-21-8-3-2-7-20(21)26-22(27)15-30-18-11-9-16(24)10-12-18/h2-13H,14-15H2,1H3,(H,25,28).
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 421.88 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 17032167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).