N-[4-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanamide

C23H28N4O2 — CID 1381400

IUPACN-[4-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(NC(=O)C(C)(C)C)cc3[nH]2)cc1
InChIInChI=1S/C23H28N4O2/c1-22(2,3)20(28)24-15-9-7-14(8-10-15)19-26-17-12-11-16(13-18(17)27-19)25-21(29)23(4,5)6/h7-13H,1-6H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyDOMVOPQXBIYHQT-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.20
Rot. Bonds3

About N-[4-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanamide

N-[4-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 1381400) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[4-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID1381400
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[4-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(NC(=O)C(C)(C)C)cc3[nH]2)cc1
InChIInChI=1S/C23H28N4O2/c1-22(2,3)20(28)24-15-9-7-14(8-10-15)19-26-17-12-11-16(13-18(17)27-19)25-21(29)23(4,5)6/h7-13H,1-6H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyDOMVOPQXBIYHQT-UHFFFAOYSA-N
XLogP5.20
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanamide (CID 1381400) is N-[4-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(NC(=O)C(C)(C)C)cc3[nH]2)cc1.
What is the InChIKey of N-[4-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is DOMVOPQXBIYHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-22(2,3)20(28)24-15-9-7-14(8-10-15)19-26-17-12-11-16(13-18(17)27-19)25-21(29)23(4,5)6/h7-13H,1-6H3,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N-[4-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanamide?
N-[4-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 392.50 g/mol, XLogP of 5.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(2,2-dimethylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 1381400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).