1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole

C13H11BrN4O — CID 106999991

IUPAC1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole
SMILESCOc1nc(-n2c(C)nc3ccccc32)ncc1Br
InChIInChI=1S/C13H11BrN4O/c1-8-16-10-5-3-4-6-11(10)18(8)13-15-7-9(14)12(17-13)19-2/h3-7H,1-2H3
InChIKeyJYBGXCTVFDARHN-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.90
Rot. Bonds2

About 1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole

1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole (PubChem CID 106999991) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole
PubChem CID106999991
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole
SMILESCOc1nc(-n2c(C)nc3ccccc32)ncc1Br
InChIInChI=1S/C13H11BrN4O/c1-8-16-10-5-3-4-6-11(10)18(8)13-15-7-9(14)12(17-13)19-2/h3-7H,1-2H3
InChIKeyJYBGXCTVFDARHN-UHFFFAOYSA-N
XLogP2.90
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-bromo-4-methoxypyrimidin-2-yl)benzimidazol-2-yl]acetonitrile
CID 106999135
2-(5-bromo-4-methoxypyrimidin-2-yl)-1,3-dihydroisoindole
CID 113253600
2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole
CID 79754202
1-(2-bromophenyl)-2-methylbenzimidazole
CID 168938830
1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole
CID 79753555
5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 151304160
1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole
CID 22507050
2-(2-methylbenzimidazol-1-yl)quinoxaline
CID 79751969
1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole
CID 79754204
2-methyl-1-(5-methyl-2-pyridinyl)benzimidazole
CID 79753476
1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole
CID 112676678
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole
CID 106797317

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole?
The IUPAC name of 1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole (CID 106999991) is 1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole?
The canonical SMILES for 1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole is COc1nc(-n2c(C)nc3ccccc32)ncc1Br.
What is the InChIKey of 1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole?
The InChIKey is JYBGXCTVFDARHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-8-16-10-5-3-4-6-11(10)18(8)13-15-7-9(14)12(17-13)19-2/h3-7H,1-2H3.
What are the key properties of 1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole?
1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole has a molecular weight of 319.16 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole is sourced from PubChem (CID 106999991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).