N-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)acetamide

C17H17N3O — CID 2088873

IUPACN-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1C
InChIInChI=1S/C17H17N3O/c1-11-7-8-13(9-12(11)2)10-16(21)20-17-18-14-5-3-4-6-15(14)19-17/h3-9H,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyVMKFEHLZVYEVKV-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.36
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)acetamide

N-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 2088873) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID2088873
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1C
InChIInChI=1S/C17H17N3O/c1-11-7-8-13(9-12(11)2)10-16(21)20-17-18-14-5-3-4-6-15(14)19-17/h3-9H,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyVMKFEHLZVYEVKV-UHFFFAOYSA-N
XLogP3.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)acetamide (CID 2088873) is N-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1C.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is VMKFEHLZVYEVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-7-8-13(9-12(11)2)10-16(21)20-17-18-14-5-3-4-6-15(14)19-17/h3-9H,10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)acetamide?
N-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 2088873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).