2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

C13H15BrN2 — CID 115403526

IUPAC2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCC1Cc2nc3ccc(Br)cn3c2C(C)C1
InChIInChI=1S/C13H15BrN2/c1-8-5-9(2)13-11(6-8)15-12-4-3-10(14)7-16(12)13/h3-4,7-9H,5-6H2,1-2H3
InChIKeyIWQBKUMJQGIUBS-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.78
Rot. Bonds

About 2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 115403526) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID115403526
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCC1Cc2nc3ccc(Br)cn3c2C(C)C1
InChIInChI=1S/C13H15BrN2/c1-8-5-9(2)13-11(6-8)15-12-4-3-10(14)7-16(12)13/h3-4,7-9H,5-6H2,1-2H3
InChIKeyIWQBKUMJQGIUBS-UHFFFAOYSA-N
XLogP3.78
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (CID 115403526) is 2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is CC1Cc2nc3ccc(Br)cn3c2C(C)C1.
What is the InChIKey of 2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is IWQBKUMJQGIUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-8-5-9(2)13-11(6-8)15-12-4-3-10(14)7-16(12)13/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 279.18 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 115403526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).