2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide

C16H15N3O — CID 81276129

IUPAC2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
SMILESCc1cc(-n2c(C)nc3ccccc32)ccc1C(N)=O
InChIInChI=1S/C16H15N3O/c1-10-9-12(7-8-13(10)16(17)20)19-11(2)18-14-5-3-4-6-15(14)19/h3-9H,1-2H3,(H2,17,20)
InChIKeyXYNAHEFFHGMUCY-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.74
Rot. Bonds2

About 2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide

2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide (PubChem CID 81276129) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide.

Molecular Properties

Compound Name2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
PubChem CID81276129
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
SMILESCc1cc(-n2c(C)nc3ccccc32)ccc1C(N)=O
InChIInChI=1S/C16H15N3O/c1-10-9-12(7-8-13(10)16(17)20)19-11(2)18-14-5-3-4-6-15(14)19/h3-9H,1-2H3,(H2,17,20)
InChIKeyXYNAHEFFHGMUCY-UHFFFAOYSA-N
XLogP2.74
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide?
The IUPAC name of 2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide (CID 81276129) is 2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide.
What is the SMILES notation for 2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide?
The canonical SMILES for 2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide is Cc1cc(-n2c(C)nc3ccccc32)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide?
The InChIKey is XYNAHEFFHGMUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-9-12(7-8-13(10)16(17)20)19-11(2)18-14-5-3-4-6-15(14)19/h3-9H,1-2H3,(H2,17,20).
What are the key properties of 2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide?
2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide has a molecular weight of 265.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide is sourced from PubChem (CID 81276129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).