6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole

C13H11ClN4 — CID 116897385

IUPAC6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole
SMILESCc1cc(-c2ccc3nc(C)[nH]c3c2)nc(Cl)n1
InChIInChI=1S/C13H11ClN4/c1-7-5-11(18-13(14)15-7)9-3-4-10-12(6-9)17-8(2)16-10/h3-6H,1-2H3,(H,16,17)
InChIKeyFCFHQESYKOZZCP-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.29
Rot. Bonds1

About 6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole

6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole (PubChem CID 116897385) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole
PubChem CID116897385
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole
SMILESCc1cc(-c2ccc3nc(C)[nH]c3c2)nc(Cl)n1
InChIInChI=1S/C13H11ClN4/c1-7-5-11(18-13(14)15-7)9-3-4-10-12(6-9)17-8(2)16-10/h3-6H,1-2H3,(H,16,17)
InChIKeyFCFHQESYKOZZCP-UHFFFAOYSA-N
XLogP3.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole
CID 116897384
2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 116856632
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine
CID 115504189
2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile
CID 116857931
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 861438
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 158790051
2-methyl-3H-benzimidazole-5-thiol
CID 43154899
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
N-methyl-2-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]ethanamine
CID 116897788
methyl 4-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-2-carboxylate
CID 116901274
N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine
CID 116897507

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole?
The IUPAC name of 6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole (CID 116897385) is 6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole.
What is the SMILES notation for 6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole?
The canonical SMILES for 6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole is Cc1cc(-c2ccc3nc(C)[nH]c3c2)nc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole?
The InChIKey is FCFHQESYKOZZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-7-5-11(18-13(14)15-7)9-3-4-10-12(6-9)17-8(2)16-10/h3-6H,1-2H3,(H,16,17).
What are the key properties of 6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole?
6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole has a molecular weight of 258.71 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole is sourced from PubChem (CID 116897385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).