2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide

C26H26N4O2 — CID 50789590

IUPAC2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCC(=O)Nc1ccc(CCc2nc3ccc(C(=O)Nc4cccc(C)c4C)cc3[nH]2)cc1
InChIInChI=1S/C26H26N4O2/c1-16-5-4-6-22(17(16)2)30-26(32)20-10-13-23-24(15-20)29-25(28-23)14-9-19-7-11-21(12-8-19)27-18(3)31/h4-8,10-13,15H,9,14H2,1-3H3,(H,27,31)(H,28,29)(H,30,32)
InChIKeyVNFCQQYJPHYYKU-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.18
Rot. Bonds6

About 2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide

2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 50789590) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID50789590
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCC(=O)Nc1ccc(CCc2nc3ccc(C(=O)Nc4cccc(C)c4C)cc3[nH]2)cc1
InChIInChI=1S/C26H26N4O2/c1-16-5-4-6-22(17(16)2)30-26(32)20-10-13-23-24(15-20)29-25(28-23)14-9-19-7-11-21(12-8-19)27-18(3)31/h4-8,10-13,15H,9,14H2,1-3H3,(H,27,31)(H,28,29)(H,30,32)
InChIKeyVNFCQQYJPHYYKU-UHFFFAOYSA-N
XLogP5.18
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-acetamidophenyl)ethyl]-N-(3-bromophenyl)-3H-benzimidazole-5-carboxamide
CID 46335025
2-[2-(4-acetamidophenyl)ethyl]-N-(5-chloro-2,4-dimethoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 46335008
2-[2-(4-acetamidophenyl)ethyl]-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide
CID 46335013
N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789623
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46290614
3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328987
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
2-[2-(4-acetamidophenyl)ethyl]-N-[(4-propoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 50789577
N-(3-methylsulfanylphenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789523
N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562324
2-[2-(4-acetamidophenyl)ethyl]-N-[1-(furan-2-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide
CID 50789480
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide (CID 50789590) is 2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide is CC(=O)Nc1ccc(CCc2nc3ccc(C(=O)Nc4cccc(C)c4C)cc3[nH]2)cc1.
What is the InChIKey of 2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is VNFCQQYJPHYYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-16-5-4-6-22(17(16)2)30-26(32)20-10-13-23-24(15-20)29-25(28-23)14-9-19-7-11-21(12-8-19)27-18(3)31/h4-8,10-13,15H,9,14H2,1-3H3,(H,27,31)(H,28,29)(H,30,32).
What are the key properties of 2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 5.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-acetamidophenyl)ethyl]-N-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 50789590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).