N-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

C21H21N3O2 — CID 2128598

IUPACN-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3nc4ccccc4[nH]3)c2cc1C(C)C
InChIInChI=1S/C21H21N3O2/c1-12(2)15-10-16-14(11-26-19(16)8-13(15)3)9-20(25)24-21-22-17-6-4-5-7-18(17)23-21/h4-8,10-12H,9H2,1-3H3,(H2,22,23,24,25)
InChIKeyJPWWMIYVAPJDGH-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.92
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

N-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (PubChem CID 2128598) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
PubChem CID2128598
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3nc4ccccc4[nH]3)c2cc1C(C)C
InChIInChI=1S/C21H21N3O2/c1-12(2)15-10-16-14(11-26-19(16)8-13(15)3)9-20(25)24-21-22-17-6-4-5-7-18(17)23-21/h4-8,10-12H,9H2,1-3H3,(H2,22,23,24,25)
InChIKeyJPWWMIYVAPJDGH-UHFFFAOYSA-N
XLogP4.92
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide
CID 24634756
N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3367131
N-[4-(carbamoylamino)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 33150978
N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide
CID 30144549
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 24560804
N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 31303355
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 112761506
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2084883
N-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)acetamide
CID 62873665
methyl 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]acetate
CID 18159169
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 4965269

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (CID 2128598) is N-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(=O)Nc3nc4ccccc4[nH]3)c2cc1C(C)C.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The InChIKey is JPWWMIYVAPJDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-12(2)15-10-16-14(11-26-19(16)8-13(15)3)9-20(25)24-21-22-17-6-4-5-7-18(17)23-21/h4-8,10-12H,9H2,1-3H3,(H2,22,23,24,25).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
N-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 2128598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).