2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole

C12H11BrN2 — CID 122629758

IUPAC2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole
SMILESCC1=CCCc2nc3ccc(Br)cn3c21
InChIInChI=1S/C12H11BrN2/c1-8-3-2-4-10-12(8)15-7-9(13)5-6-11(15)14-10/h3,5-7H,2,4H2,1H3
InChIKeyMVIRUMZXTHDTOT-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.45
Rot. Bonds

About 2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole

2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole (PubChem CID 122629758) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole
PubChem CID122629758
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole
SMILESCC1=CCCc2nc3ccc(Br)cn3c21
InChIInChI=1S/C12H11BrN2/c1-8-3-2-4-10-12(8)15-7-9(13)5-6-11(15)14-10/h3,5-7H,2,4H2,1H3
InChIKeyMVIRUMZXTHDTOT-UHFFFAOYSA-N
XLogP3.45
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene
CID 115403550
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CID 114835238
6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356837
6-bromo-3-(3-fluorophenyl)-2-methylimidazo[1,2-a]pyridine
CID 114835239
2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115403526
1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 21345663
2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4H-1,3,4-oxadiazin-5-one
CID 14032924
(E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 39196018
2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole
CID 141277938
3,6-dibromo-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 165178013
1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-methylpropan-2-amine
CID 22298779
12-bromo-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3-carboxylic acid
CID 122540226

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole?
The IUPAC name of 2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole (CID 122629758) is 2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole is CC1=CCCc2nc3ccc(Br)cn3c21.
What is the InChIKey of 2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole?
The InChIKey is MVIRUMZXTHDTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c1-8-3-2-4-10-12(8)15-7-9(13)5-6-11(15)14-10/h3,5-7H,2,4H2,1H3.
What are the key properties of 2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole?
2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole has a molecular weight of 263.14 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 122629758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).