2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide

C19H20ClN3O2 — CID 17031857

IUPAC2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(COc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C19H20ClN3O2/c1-13(2)21-19(24)11-23-16-9-5-4-8-15(16)22-18(23)12-25-17-10-6-3-7-14(17)20/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeyAUFLEZJSECLHFE-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.79
Rot. Bonds6

About 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide

2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 17031857) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID17031857
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(COc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C19H20ClN3O2/c1-13(2)21-19(24)11-23-16-9-5-4-8-15(16)22-18(23)12-25-17-10-6-3-7-14(17)20/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeyAUFLEZJSECLHFE-UHFFFAOYSA-N
XLogP3.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031896
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 17031855
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide
CID 17031853
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032004
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17031887
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032527
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 16997427
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 17031904
2-[(2-chlorophenoxy)methyl]-1-prop-2-ynylbenzimidazole
CID 16997288
2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17032224
2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole
CID 16997296
4-chloro-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029540

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide (CID 17031857) is 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(COc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is AUFLEZJSECLHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-13(2)21-19(24)11-23-16-9-5-4-8-15(16)22-18(23)12-25-17-10-6-3-7-14(17)20/h3-10,13H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 357.84 g/mol, XLogP of 3.79, 6 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-propan-2-ylacetamide is sourced from PubChem (CID 17031857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).