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

C19H20ClN3O2 — CID 17031853

IUPAC2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(COc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C19H20ClN3O2/c1-2-11-21-19(24)12-23-16-9-5-4-8-15(16)22-18(23)13-25-17-10-6-3-7-14(17)20/h3-10H,2,11-13H2,1H3,(H,21,24)
InChIKeyXNUBRGHLFGZMQZ-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.79
Rot. Bonds7

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

2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide (PubChem CID 17031853) 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-propylacetamide.

Molecular Properties

Compound Name2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide
PubChem CID17031853
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(COc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C19H20ClN3O2/c1-2-11-21-19(24)12-23-16-9-5-4-8-15(16)22-18(23)13-25-17-10-6-3-7-14(17)20/h3-10H,2,11-13H2,1H3,(H,21,24)
InChIKeyXNUBRGHLFGZMQZ-UHFFFAOYSA-N
XLogP3.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-(2-methylpropyl)acetamide
CID 17031855
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17031857
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031896
2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole
CID 16997296
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 17031887
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 112759773
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974464
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 17031904
2-[(2-chlorophenoxy)methyl]-1-prop-2-ynylbenzimidazole
CID 16997288
N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031952
N-(2-methoxyethyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 35805150
1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997302

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide (CID 17031853) is 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1c(COc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide?
The InChIKey is XNUBRGHLFGZMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-2-11-21-19(24)12-23-16-9-5-4-8-15(16)22-18(23)13-25-17-10-6-3-7-14(17)20/h3-10H,2,11-13H2,1H3,(H,21,24).
What are the key properties of 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide?
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propylacetamide has a molecular weight of 357.84 g/mol, XLogP of 3.79, 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-propylacetamide is sourced from PubChem (CID 17031853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).