2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide

C21H21N3O2 — CID 4831317

IUPAC2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
SMILESCCCn1c(NC(=O)Cc2coc3cc(C)ccc23)nc2ccccc21
InChIInChI=1S/C21H21N3O2/c1-3-10-24-18-7-5-4-6-17(18)22-21(24)23-20(25)12-15-13-26-19-11-14(2)8-9-16(15)19/h4-9,11,13H,3,10,12H2,1-2H3,(H,22,23,25)
InChIKeyXPYWXXNVKRKAGT-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.68
Rot. Bonds5

About 2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide

2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide (PubChem CID 4831317) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
PubChem CID4831317
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
SMILESCCCn1c(NC(=O)Cc2coc3cc(C)ccc23)nc2ccccc21
InChIInChI=1S/C21H21N3O2/c1-3-10-24-18-7-5-4-6-17(18)22-21(24)23-20(25)12-15-13-26-19-11-14(2)8-9-16(15)19/h4-9,11,13H,3,10,12H2,1-2H3,(H,22,23,25)
InChIKeyXPYWXXNVKRKAGT-UHFFFAOYSA-N
XLogP4.68
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide
CID 8914517
N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27134350
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 71943584
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2598479
4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide
CID 30178636
N-(2-methoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2599354
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
2-(6-methyl-1-benzofuran-3-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55978691
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 27827443

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide (CID 4831317) is 2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide is CCCn1c(NC(=O)Cc2coc3cc(C)ccc23)nc2ccccc21.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide?
The InChIKey is XPYWXXNVKRKAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-10-24-18-7-5-4-6-17(18)22-21(24)23-20(25)12-15-13-26-19-11-14(2)8-9-16(15)19/h4-9,11,13H,3,10,12H2,1-2H3,(H,22,23,25).
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide?
2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide is sourced from PubChem (CID 4831317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).