N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide

C27H27N3O — CID 24758812

IUPACN-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc2nc(/C=C/c3ccc(C(C)(C)C)cc3)[nH]c2c1
InChIInChI=1S/C27H27N3O/c1-18(31)28-23-8-6-5-7-22(23)20-12-15-24-25(17-20)30-26(29-24)16-11-19-9-13-21(14-10-19)27(2,3)4/h5-17H,1-4H3,(H,28,31)(H,29,30)/b16-11+
InChIKeyGEVKFYGTGFJHID-LFIBNONCSA-N
MW409.53 g/mol
LogP6.66
Rot. Bonds4

About N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide

N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide (PubChem CID 24758812) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide
PubChem CID24758812
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC NameN-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc2nc(/C=C/c3ccc(C(C)(C)C)cc3)[nH]c2c1
InChIInChI=1S/C27H27N3O/c1-18(31)28-23-8-6-5-7-22(23)20-12-15-24-25(17-20)30-26(29-24)16-11-19-9-13-21(14-10-19)27(2,3)4/h5-17H,1-4H3,(H,28,31)(H,29,30)/b16-11+
InChIKeyGEVKFYGTGFJHID-LFIBNONCSA-N
XLogP6.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide (CID 24758812) is N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1ccc2nc(/C=C/c3ccc(C(C)(C)C)cc3)[nH]c2c1.
What is the InChIKey of N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide?
The InChIKey is GEVKFYGTGFJHID-LFIBNONCSA-N. The full InChI is InChI=1S/C27H27N3O/c1-18(31)28-23-8-6-5-7-22(23)20-12-15-24-25(17-20)30-26(29-24)16-11-19-9-13-21(14-10-19)27(2,3)4/h5-17H,1-4H3,(H,28,31)(H,29,30)/b16-11+.
What are the key properties of N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide?
N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 6.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 24758812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).