1-(2,6-dichloropyrimidin-4-yl)benzimidazole

C11H6Cl2N4 — CID 10539590

IUPAC1-(2,6-dichloropyrimidin-4-yl)benzimidazole
SMILESClc1cc(-n2cnc3ccccc32)nc(Cl)n1
InChIInChI=1S/C11H6Cl2N4/c12-9-5-10(16-11(13)15-9)17-6-14-7-3-1-2-4-8(7)17/h1-6H
InChIKeyIAPCOUOUKCFBNL-UHFFFAOYSA-N
MW265.10 g/mol
LogP3.12
Rot. Bonds1

About 1-(2,6-dichloropyrimidin-4-yl)benzimidazole

1-(2,6-dichloropyrimidin-4-yl)benzimidazole (PubChem CID 10539590) has the molecular formula C11H6Cl2N4 and a molecular weight of 265.10 g/mol. Its IUPAC name is 1-(2,6-dichloropyrimidin-4-yl)benzimidazole.

Molecular Properties

Compound Name1-(2,6-dichloropyrimidin-4-yl)benzimidazole
PubChem CID10539590
Molecular FormulaC11H6Cl2N4
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name1-(2,6-dichloropyrimidin-4-yl)benzimidazole
SMILESClc1cc(-n2cnc3ccccc32)nc(Cl)n1
InChIInChI=1S/C11H6Cl2N4/c12-9-5-10(16-11(13)15-9)17-6-14-7-3-1-2-4-8(7)17/h1-6H
InChIKeyIAPCOUOUKCFBNL-UHFFFAOYSA-N
XLogP3.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butyl-6-chloropyrimidin-4-yl)benzimidazole
CID 80951246
2-(benzimidazol-1-yl)quinoline-4-carbonitrile
CID 63884112
4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine
CID 114053321
6-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80966582
[2-(benzimidazol-1-yl)-5-chloro-4-pyridinyl]methanamine
CID 114927352
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167
1-(4-chloro-1H-pyrazol-5-yl)benzimidazole
CID 163906532
6-(benzimidazol-1-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760242
2-(benzimidazol-1-yl)-1,10-phenanthroline
CID 90688679
1-(2,3-dichlorophenyl)benzimidazole
CID 42636654
1-(3-bromo-5-chloro-2-pyridinyl)benzimidazole
CID 114837450
3-(benzimidazol-1-yl)naphthalen-2-ol
CID 57307843

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloropyrimidin-4-yl)benzimidazole?
The IUPAC name of 1-(2,6-dichloropyrimidin-4-yl)benzimidazole (CID 10539590) is 1-(2,6-dichloropyrimidin-4-yl)benzimidazole.
What is the SMILES notation for 1-(2,6-dichloropyrimidin-4-yl)benzimidazole?
The canonical SMILES for 1-(2,6-dichloropyrimidin-4-yl)benzimidazole is Clc1cc(-n2cnc3ccccc32)nc(Cl)n1.
What is the InChIKey of 1-(2,6-dichloropyrimidin-4-yl)benzimidazole?
The InChIKey is IAPCOUOUKCFBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4/c12-9-5-10(16-11(13)15-9)17-6-14-7-3-1-2-4-8(7)17/h1-6H.
What are the key properties of 1-(2,6-dichloropyrimidin-4-yl)benzimidazole?
1-(2,6-dichloropyrimidin-4-yl)benzimidazole has a molecular weight of 265.10 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloropyrimidin-4-yl)benzimidazole is sourced from PubChem (CID 10539590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).