1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole

C16H14N4 — CID 68560156

IUPAC1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole
SMILESCc1cc(-c2nc3ccccc3n2C)cc2[nH]cnc12
InChIInChI=1S/C16H14N4/c1-10-7-11(8-13-15(10)18-9-17-13)16-19-12-5-3-4-6-14(12)20(16)2/h3-9H,1-2H3,(H,17,18)
InChIKeyCWYNQECFFPTEQR-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.43
Rot. Bonds1

About 1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole

1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole (PubChem CID 68560156) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole
PubChem CID68560156
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole
SMILESCc1cc(-c2nc3ccccc3n2C)cc2[nH]cnc12
InChIInChI=1S/C16H14N4/c1-10-7-11(8-13-15(10)18-9-17-13)16-19-12-5-3-4-6-14(12)20(16)2/h3-9H,1-2H3,(H,17,18)
InChIKeyCWYNQECFFPTEQR-UHFFFAOYSA-N
XLogP3.43
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole?
The IUPAC name of 1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole (CID 68560156) is 1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole?
The canonical SMILES for 1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole is Cc1cc(-c2nc3ccccc3n2C)cc2[nH]cnc12.
What is the InChIKey of 1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole?
The InChIKey is CWYNQECFFPTEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-10-7-11(8-13-15(10)18-9-17-13)16-19-12-5-3-4-6-14(12)20(16)2/h3-9H,1-2H3,(H,17,18).
What are the key properties of 1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole?
1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole has a molecular weight of 262.32 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole is sourced from PubChem (CID 68560156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).