N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide

C24H26N4O3 — CID 24634756

IUPACN'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide
SMILESCc1cc2occ(CC(=O)NNC(=O)Cc3nc4ccccc4n3C)c2cc1C(C)C
InChIInChI=1S/C24H26N4O3/c1-14(2)17-11-18-16(13-31-21(18)9-15(17)3)10-23(29)26-27-24(30)12-22-25-19-7-5-6-8-20(19)28(22)4/h5-9,11,13-14H,10,12H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyGVFAFPCPHWOEKL-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.68
Rot. Bonds5

About N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide

N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide (PubChem CID 24634756) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide
PubChem CID24634756
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide
SMILESCc1cc2occ(CC(=O)NNC(=O)Cc3nc4ccccc4n3C)c2cc1C(C)C
InChIInChI=1S/C24H26N4O3/c1-14(2)17-11-18-16(13-31-21(18)9-15(17)3)10-23(29)26-27-24(30)12-22-25-19-7-5-6-8-20(19)28(22)4/h5-9,11,13-14H,10,12H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyGVFAFPCPHWOEKL-UHFFFAOYSA-N
XLogP3.68
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 24560804
N'-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-1H-indole-3-carbohydrazide
CID 30144549
2-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]quinoline-4-carbohydrazide
CID 4789695
2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
CID 18158832
N-[4-(carbamoylamino)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 33150978
N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3367131
4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 3603733
methyl 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]acetate
CID 18159169
5-bromo-3-methyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-1-benzofuran-2-carbohydrazide
CID 25490154
2-(1-methylbenzimidazol-2-yl)-N'-[2-(2-oxoquinoxalin-1-yl)acetyl]acetohydrazide
CID 18284100
N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 31303355

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide (CID 24634756) is N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide is Cc1cc2occ(CC(=O)NNC(=O)Cc3nc4ccccc4n3C)c2cc1C(C)C.
What is the InChIKey of N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide?
The InChIKey is GVFAFPCPHWOEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-14(2)17-11-18-16(13-31-21(18)9-15(17)3)10-23(29)26-27-24(30)12-22-25-19-7-5-6-8-20(19)28(22)4/h5-9,11,13-14H,10,12H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide?
N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide has a molecular weight of 418.50 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetohydrazide is sourced from PubChem (CID 24634756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).