5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole

C13H11BrN4 — CID 116897305

IUPAC5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole
SMILESCc1cc(-c2ccc3c(c2)ncn3C)nc(Br)n1
InChIInChI=1S/C13H11BrN4/c1-8-5-10(17-13(14)16-8)9-3-4-12-11(6-9)15-7-18(12)2/h3-7H,1-2H3
InChIKeyVCPXAXBURBPENE-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.10
Rot. Bonds1

About 5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole

5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole (PubChem CID 116897305) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole.

Molecular Properties

Compound Name5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole
PubChem CID116897305
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole
SMILESCc1cc(-c2ccc3c(c2)ncn3C)nc(Br)n1
InChIInChI=1S/C13H11BrN4/c1-8-5-10(17-13(14)16-8)9-3-4-12-11(6-9)15-7-18(12)2/h3-7H,1-2H3
InChIKeyVCPXAXBURBPENE-UHFFFAOYSA-N
XLogP3.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid
CID 116894060
2-[4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidin-2-yl]acetonitrile
CID 116895055
5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole
CID 177401759
1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone
CID 116867483
5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole
CID 177490277
2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole
CID 116970087
1,5-dimethylbenzimidazole;ethene
CID 145318091
3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 122231731
N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine
CID 116885858
2-[2-bromo-4-(1-methylbenzimidazol-5-yl)-1H-imidazol-5-yl]ethanamine
CID 84604064
[2-(1-methylbenzimidazol-5-yl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 95967179
3-(difluoromethyl)-5-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 167771887

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole?
The IUPAC name of 5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole (CID 116897305) is 5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole.
What is the SMILES notation for 5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole?
The canonical SMILES for 5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole is Cc1cc(-c2ccc3c(c2)ncn3C)nc(Br)n1.
What is the InChIKey of 5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole?
The InChIKey is VCPXAXBURBPENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-8-5-10(17-13(14)16-8)9-3-4-12-11(6-9)15-7-18(12)2/h3-7H,1-2H3.
What are the key properties of 5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole?
5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole has a molecular weight of 303.16 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole is sourced from PubChem (CID 116897305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).