2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide

C15H16N6O3 — CID 121137385

IUPAC2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide
SMILESCOc1nc(CNC(=O)Cn2cnc3ccccc32)nc(OC)n1
InChIInChI=1S/C15H16N6O3/c1-23-14-18-12(19-15(20-14)24-2)7-16-13(22)8-21-9-17-10-5-3-4-6-11(10)21/h3-6,9H,7-8H2,1-2H3,(H,16,22)
InChIKeyFAMBNNGNIJGTPR-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.55
Rot. Bonds6

About 2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide

2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide (PubChem CID 121137385) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide
PubChem CID121137385
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Name2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide
SMILESCOc1nc(CNC(=O)Cn2cnc3ccccc32)nc(OC)n1
InChIInChI=1S/C15H16N6O3/c1-23-14-18-12(19-15(20-14)24-2)7-16-13(22)8-21-9-17-10-5-3-4-6-11(10)21/h3-6,9H,7-8H2,1-2H3,(H,16,22)
InChIKeyFAMBNNGNIJGTPR-UHFFFAOYSA-N
XLogP0.55
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
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O-methyl 2-(benzimidazol-1-yl)ethanethioate
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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide (CID 121137385) is 2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide is COc1nc(CNC(=O)Cn2cnc3ccccc32)nc(OC)n1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide?
The InChIKey is FAMBNNGNIJGTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-23-14-18-12(19-15(20-14)24-2)7-16-13(22)8-21-9-17-10-5-3-4-6-11(10)21/h3-6,9H,7-8H2,1-2H3,(H,16,22).
What are the key properties of 2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide?
2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide has a molecular weight of 328.33 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide is sourced from PubChem (CID 121137385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).