N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

C21H25N3O2 — CID 113195295

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-13(2)15-8-7-9-16(14(3)4)20(15)23-19(25)12-24-18-11-6-5-10-17(18)22-21(24)26/h5-11,13-14H,12H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyZCXDIHVTQCBZIU-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.22
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 113195295) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID113195295
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-13(2)15-8-7-9-16(14(3)4)20(15)23-19(25)12-24-18-11-6-5-10-17(18)22-21(24)26/h5-11,13-14H,12H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyZCXDIHVTQCBZIU-UHFFFAOYSA-N
XLogP4.22
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110898816
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 113195428
N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195253
2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid
CID 119223469
N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195260
N-(3-chloro-2-methylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195248
N-(4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195258
N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 39967043
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 119527137
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787844
methyl 1-ethyl-3-methyl-4-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]pyrazole-5-carboxylate
CID 75450669
N-(2,4-dimethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195265

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 113195295) is N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)Cn1c(=O)[nH]c2ccccc21.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is ZCXDIHVTQCBZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-13(2)15-8-7-9-16(14(3)4)20(15)23-19(25)12-24-18-11-6-5-10-17(18)22-21(24)26/h5-11,13-14H,12H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 113195295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).