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

C17H17N3O3 — CID 853078

IUPACN-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C17H17N3O3/c1-22-14-8-7-11(9-15(14)23-2)10-16(21)20-17-18-12-5-3-4-6-13(12)19-17/h3-9H,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyBHDNCFNMLJKFHV-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.76
Rot. Bonds5

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

N-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 853078) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID853078
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C17H17N3O3/c1-22-14-8-7-11(9-15(14)23-2)10-16(21)20-17-18-12-5-3-4-6-13(12)19-17/h3-9H,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyBHDNCFNMLJKFHV-UHFFFAOYSA-N
XLogP2.76
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide (CID 853078) is N-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is BHDNCFNMLJKFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-14-8-7-11(9-15(14)23-2)10-16(21)20-17-18-12-5-3-4-6-13(12)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-dimethoxyphenyl)acetamide?
N-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 853078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).