2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C25H27N3O2 — CID 24560804

IUPAC2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1cc2occ(CC(=O)NCc3ccccc3Cn3cccn3)c2cc1C(C)C
InChIInChI=1S/C25H27N3O2/c1-17(2)22-13-23-21(16-30-24(23)11-18(22)3)12-25(29)26-14-19-7-4-5-8-20(19)15-28-10-6-9-27-28/h4-11,13,16-17H,12,14-15H2,1-3H3,(H,26,29)
InChIKeyBAGSMKPELOZWEZ-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.97
Rot. Bonds7

About 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 24560804) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID24560804
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1cc2occ(CC(=O)NCc3ccccc3Cn3cccn3)c2cc1C(C)C
InChIInChI=1S/C25H27N3O2/c1-17(2)22-13-23-21(16-30-24(23)11-18(22)3)12-25(29)26-14-19-7-4-5-8-20(19)15-28-10-6-9-27-28/h4-11,13,16-17H,12,14-15H2,1-3H3,(H,26,29)
InChIKeyBAGSMKPELOZWEZ-UHFFFAOYSA-N
XLogP4.97
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 18102254
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18268666
N-[(4-methoxyphenyl)methyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3330142
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 112761506
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
N-(1H-benzimidazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 2128598
N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide
CID 30144549
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
2-(2-nitrophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 41419267
N-[3-(2-methoxyethoxy)propyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 134029690

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 24560804) is 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is Cc1cc2occ(CC(=O)NCc3ccccc3Cn3cccn3)c2cc1C(C)C.
What is the InChIKey of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is BAGSMKPELOZWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-17(2)22-13-23-21(16-30-24(23)11-18(22)3)12-25(29)26-14-19-7-4-5-8-20(19)15-28-10-6-9-27-28/h4-11,13,16-17H,12,14-15H2,1-3H3,(H,26,29).
What are the key properties of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 24560804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).