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

C12H9ClN4 — CID 116897384

IUPAC6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole
SMILESCc1cc(-c2ccc3nc[nH]c3c2)nc(Cl)n1
InChIInChI=1S/C12H9ClN4/c1-7-4-10(17-12(13)16-7)8-2-3-9-11(5-8)15-6-14-9/h2-6H,1H3,(H,14,15)
InChIKeySUCMHIMLNJYKTL-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.98
Rot. Bonds1

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

6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole (PubChem CID 116897384) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole
PubChem CID116897384
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole
SMILESCc1cc(-c2ccc3nc[nH]c3c2)nc(Cl)n1
InChIInChI=1S/C12H9ClN4/c1-7-4-10(17-12(13)16-7)8-2-3-9-11(5-8)15-6-14-9/h2-6H,1H3,(H,14,15)
InChIKeySUCMHIMLNJYKTL-UHFFFAOYSA-N
XLogP2.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole
CID 116897385
6-(2-chloropyrimidin-4-yl)-1H-benzimidazole
CID 116904383
2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892604
4-(3H-benzimidazol-5-yl)-6-methyl-1H-pyrimidine-2-thione
CID 116894712
2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine
CID 115504189
5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole
CID 94069320
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
4-(3H-benzimidazol-5-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867298
2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine
CID 116897787
6-[2-(2-chloroethyl)pyrimidin-4-yl]-1H-benzimidazole
CID 116899357
6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole
CID 175227051
[5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol
CID 116828782

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole?
The IUPAC name of 6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole (CID 116897384) is 6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole.
What is the SMILES notation for 6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole?
The canonical SMILES for 6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole is Cc1cc(-c2ccc3nc[nH]c3c2)nc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole?
The InChIKey is SUCMHIMLNJYKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c1-7-4-10(17-12(13)16-7)8-2-3-9-11(5-8)15-6-14-9/h2-6H,1H3,(H,14,15).
What are the key properties of 6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole?
6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole has a molecular weight of 244.69 g/mol, XLogP of 2.98, 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)-1H-benzimidazole is sourced from PubChem (CID 116897384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).