2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile

C14H10BrN3 — CID 1269849

IUPAC2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1c(Br)c(C)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C14H10BrN3/c1-8-10(7-16)14-17-11-5-3-4-6-12(11)18(14)9(2)13(8)15/h3-6H,1-2H3
InChIKeyLFMDDRRKAVNJOT-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.74
Rot. Bonds

About 2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile

2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 1269849) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID1269849
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1c(Br)c(C)n2c(nc3ccccc32)c1C#N
InChIInChI=1S/C14H10BrN3/c1-8-10(7-16)14-17-11-5-3-4-6-12(11)18(14)9(2)13(8)15/h3-6H,1-2H3
InChIKeyLFMDDRRKAVNJOT-UHFFFAOYSA-N
XLogP3.74
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-methylpyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
CID 15210133
1-iodo-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 88919839
2-ethyl-3-methyl-1-[[(1S)-1-phenylethyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 1034944
1-(1-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 142668218
2-[(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl-diethylazanium
CID 6956900
2-ethyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 743377
(2E)-2-[(4-hydroxyanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
CID 171979540
3-methyl-1-piperazin-1-yl-2-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71274889
2-benzyl-1-[2-(dimethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 989046
3-methyl-2-(3-methylbutyl)-1-[[(1S)-1-phenylethyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 27026809
1-(benzotriazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 19259127
(2Z)-2-[[(5-bromo-2,1,3-benzothiadiazol-6-yl)amino]methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
CID 56690443

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 1269849) is 2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1c(Br)c(C)n2c(nc3ccccc32)c1C#N.
What is the InChIKey of 2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is LFMDDRRKAVNJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c1-8-10(7-16)14-17-11-5-3-4-6-12(11)18(14)9(2)13(8)15/h3-6H,1-2H3.
What are the key properties of 2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile?
2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 300.16 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 1269849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).