N-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide

C17H17N3O — CID 749157

IUPACN-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)nc(C)n2Cc1ccccc1
InChIInChI=1S/C17H17N3O/c1-12-18-16-10-15(19-13(2)21)8-9-17(16)20(12)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyGYMAPSSHLMVZCT-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.35
Rot. Bonds3

About N-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide

N-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide (PubChem CID 749157) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide
PubChem CID749157
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)nc(C)n2Cc1ccccc1
InChIInChI=1S/C17H17N3O/c1-12-18-16-10-15(19-13(2)21)8-9-17(16)20(12)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyGYMAPSSHLMVZCT-UHFFFAOYSA-N
XLogP3.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide?
The IUPAC name of N-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide (CID 749157) is N-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide?
The canonical SMILES for N-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide is CC(=O)Nc1ccc2c(c1)nc(C)n2Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide?
The InChIKey is GYMAPSSHLMVZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-18-16-10-15(19-13(2)21)8-9-17(16)20(12)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of N-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide?
N-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 749157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).