5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole

C14H12BrN3 — CID 91644628

IUPAC5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole
SMILESCc1ccc(-c2nc3cc(Br)ccc3n2C)nc1
InChIInChI=1S/C14H12BrN3/c1-9-3-5-11(16-8-9)14-17-12-7-10(15)4-6-13(12)18(14)2/h3-8H,1-2H3
InChIKeyUODOPAMCQVQRFP-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.71
Rot. Bonds1

About 5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole

5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole (PubChem CID 91644628) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole
PubChem CID91644628
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole
SMILESCc1ccc(-c2nc3cc(Br)ccc3n2C)nc1
InChIInChI=1S/C14H12BrN3/c1-9-3-5-11(16-8-9)14-17-12-7-10(15)4-6-13(12)18(14)2/h3-8H,1-2H3
InChIKeyUODOPAMCQVQRFP-UHFFFAOYSA-N
XLogP3.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole?
The IUPAC name of 5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole (CID 91644628) is 5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole.
What is the SMILES notation for 5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole?
The canonical SMILES for 5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole is Cc1ccc(-c2nc3cc(Br)ccc3n2C)nc1.
What is the InChIKey of 5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole?
The InChIKey is UODOPAMCQVQRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-9-3-5-11(16-8-9)14-17-12-7-10(15)4-6-13(12)18(14)2/h3-8H,1-2H3.
What are the key properties of 5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole?
5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole has a molecular weight of 302.18 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole is sourced from PubChem (CID 91644628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).