2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide

C20H23N3O3 — CID 17032961

IUPAC2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C20H23N3O3/c1-4-11-21-19(24)13-23-16-8-6-5-7-15(16)22-20(23)14-9-10-17(25-2)18(12-14)26-3/h5-10,12H,4,11,13H2,1-3H3,(H,21,24)
InChIKeyFTFJIYIYHCFUFN-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.25
Rot. Bonds7

About 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide

2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide (PubChem CID 17032961) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
PubChem CID17032961
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C20H23N3O3/c1-4-11-21-19(24)13-23-16-8-6-5-7-15(16)22-20(23)14-9-10-17(25-2)18(12-14)26-3/h5-10,12H,4,11,13H2,1-3H3,(H,21,24)
InChIKeyFTFJIYIYHCFUFN-UHFFFAOYSA-N
XLogP3.25
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17033010
2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032912
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 17033006
2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032863
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17033004
N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide
CID 17032990
2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20994244
2-[2-(4-butoxy-3-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20993202
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17032986
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
CID 2946907
N-ethyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032718
2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid
CID 20989989

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide (CID 17032961) is 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide?
The InChIKey is FTFJIYIYHCFUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-11-21-19(24)13-23-16-8-6-5-7-15(16)22-20(23)14-9-10-17(25-2)18(12-14)26-3/h5-10,12H,4,11,13H2,1-3H3,(H,21,24).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide?
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide has a molecular weight of 353.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide is sourced from PubChem (CID 17032961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).