N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide

C17H18N4O2 — CID 71848970

IUPACN-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCc1cccc2nc(CNC(=O)Cn3ccccc3=O)n(C)c12
InChIInChI=1S/C17H18N4O2/c1-12-6-5-7-13-17(12)20(2)14(19-13)10-18-15(22)11-21-9-4-3-8-16(21)23/h3-9H,10-11H2,1-2H3,(H,18,22)
InChIKeyILCZODPLFWZTAK-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.36
Rot. Bonds4

About N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide

N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 71848970) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID71848970
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCc1cccc2nc(CNC(=O)Cn3ccccc3=O)n(C)c12
InChIInChI=1S/C17H18N4O2/c1-12-6-5-7-13-17(12)20(2)14(19-13)10-18-15(22)11-21-9-4-3-8-16(21)23/h3-9H,10-11H2,1-2H3,(H,18,22)
InChIKeyILCZODPLFWZTAK-UHFFFAOYSA-N
XLogP1.36
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide (CID 71848970) is N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide is Cc1cccc2nc(CNC(=O)Cn3ccccc3=O)n(C)c12.
What is the InChIKey of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is ILCZODPLFWZTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-6-5-7-13-17(12)20(2)14(19-13)10-18-15(22)11-21-9-4-3-8-16(21)23/h3-9H,10-11H2,1-2H3,(H,18,22).
What are the key properties of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide?
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 71848970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).