2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide

C20H21N3O3 — CID 131951300

IUPAC2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
SMILESCCCn1c(C)nc2cc(NC(=O)Cc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C20H21N3O3/c1-3-8-23-13(2)21-16-11-15(5-6-17(16)23)22-20(24)10-14-4-7-18-19(9-14)26-12-25-18/h4-7,9,11H,3,8,10,12H2,1-2H3,(H,22,24)
InChIKeyRQVLWKXICFNUDN-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.66
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide (PubChem CID 131951300) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
PubChem CID131951300
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
SMILESCCCn1c(C)nc2cc(NC(=O)Cc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C20H21N3O3/c1-3-8-23-13(2)21-16-11-15(5-6-17(16)23)22-20(24)10-14-4-7-18-19(9-14)26-12-25-18/h4-7,9,11H,3,8,10,12H2,1-2H3,(H,22,24)
InChIKeyRQVLWKXICFNUDN-UHFFFAOYSA-N
XLogP3.66
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 131942241
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
CID 131952394
N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide
CID 131927243
N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028556
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167
dimethyl (E)-2-[(2-methyl-1-propylbenzimidazol-5-yl)amino]but-2-enedioate
CID 168570679
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2101612
2-(1,3-benzodioxol-5-yl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 131936069
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110606294

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide (CID 131951300) is 2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide is CCCn1c(C)nc2cc(NC(=O)Cc3ccc4c(c3)OCO4)ccc21.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide?
The InChIKey is RQVLWKXICFNUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-8-23-13(2)21-16-11-15(5-6-17(16)23)22-20(24)10-14-4-7-18-19(9-14)26-12-25-18/h4-7,9,11H,3,8,10,12H2,1-2H3,(H,22,24).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 131951300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).