6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole

C16H14N4 — CID 159713001

IUPAC6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole
SMILESCC1=Nc2cc3nc(-c4ccc(C)cn4)[nH]c3cc2C1
InChIInChI=1S/C16H14N4/c1-9-3-4-12(17-8-9)16-19-14-6-11-5-10(2)18-13(11)7-15(14)20-16/h3-4,6-8H,5H2,1-2H3,(H,19,20)
InChIKeyWYDXHTBEMFISHJ-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.58
Rot. Bonds1

About 6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole

6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole (PubChem CID 159713001) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole
PubChem CID159713001
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole
SMILESCC1=Nc2cc3nc(-c4ccc(C)cn4)[nH]c3cc2C1
InChIInChI=1S/C16H14N4/c1-9-3-4-12(17-8-9)16-19-14-6-11-5-10(2)18-13(11)7-15(14)20-16/h3-4,6-8H,5H2,1-2H3,(H,19,20)
InChIKeyWYDXHTBEMFISHJ-UHFFFAOYSA-N
XLogP3.58
TPSA53.93 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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole?
The IUPAC name of 6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole (CID 159713001) is 6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole.
What is the SMILES notation for 6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole?
The canonical SMILES for 6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole is CC1=Nc2cc3nc(-c4ccc(C)cn4)[nH]c3cc2C1.
What is the InChIKey of 6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole?
The InChIKey is WYDXHTBEMFISHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-9-3-4-12(17-8-9)16-19-14-6-11-5-10(2)18-13(11)7-15(14)20-16/h3-4,6-8H,5H2,1-2H3,(H,19,20).
What are the key properties of 6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole?
6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole has a molecular weight of 262.32 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole is sourced from PubChem (CID 159713001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).