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

C13H11ClN4O — CID 175715308

IUPAC2-(2-chloro-5-methoxypyrimidin-4-yl)-1-methylbenzimidazole
SMILESCOc1cnc(Cl)nc1-c1nc2ccccc2n1C
InChIInChI=1S/C13H11ClN4O/c1-18-9-6-4-3-5-8(9)16-12(18)11-10(19-2)7-15-13(14)17-11/h3-7H,1-2H3
InChIKeyDXYYSQMSZHVHFE-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.69
Rot. Bonds2

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

2-(2-chloro-5-methoxypyrimidin-4-yl)-1-methylbenzimidazole (PubChem CID 175715308) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxypyrimidin-4-yl)-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(2-chloro-5-methoxypyrimidin-4-yl)-1-methylbenzimidazole
PubChem CID175715308
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name2-(2-chloro-5-methoxypyrimidin-4-yl)-1-methylbenzimidazole
SMILESCOc1cnc(Cl)nc1-c1nc2ccccc2n1C
InChIInChI=1S/C13H11ClN4O/c1-18-9-6-4-3-5-8(9)16-12(18)11-10(19-2)7-15-13(14)17-11/h3-7H,1-2H3
InChIKeyDXYYSQMSZHVHFE-UHFFFAOYSA-N
XLogP2.69
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxypyrimidin-4-yl)-1-methylbenzimidazole?
The IUPAC name of 2-(2-chloro-5-methoxypyrimidin-4-yl)-1-methylbenzimidazole (CID 175715308) is 2-(2-chloro-5-methoxypyrimidin-4-yl)-1-methylbenzimidazole.
What is the SMILES notation for 2-(2-chloro-5-methoxypyrimidin-4-yl)-1-methylbenzimidazole?
The canonical SMILES for 2-(2-chloro-5-methoxypyrimidin-4-yl)-1-methylbenzimidazole is COc1cnc(Cl)nc1-c1nc2ccccc2n1C.
What is the InChIKey of 2-(2-chloro-5-methoxypyrimidin-4-yl)-1-methylbenzimidazole?
The InChIKey is DXYYSQMSZHVHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-18-9-6-4-3-5-8(9)16-12(18)11-10(19-2)7-15-13(14)17-11/h3-7H,1-2H3.
What are the key properties of 2-(2-chloro-5-methoxypyrimidin-4-yl)-1-methylbenzimidazole?
2-(2-chloro-5-methoxypyrimidin-4-yl)-1-methylbenzimidazole has a molecular weight of 274.71 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxypyrimidin-4-yl)-1-methylbenzimidazole is sourced from PubChem (CID 175715308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).