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

C11H6Cl2N4 — CID 102008085

IUPAC2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole
SMILESClc1cc(Cl)nc(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C11H6Cl2N4/c12-8-5-9(13)17-11(16-8)10-14-6-3-1-2-4-7(6)15-10/h1-5H,(H,14,15)
InChIKeyCKJNGFFFBTULQP-UHFFFAOYSA-N
MW265.10 g/mol
LogP3.33
Rot. Bonds1

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

2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole (PubChem CID 102008085) has the molecular formula C11H6Cl2N4 and a molecular weight of 265.10 g/mol. Its IUPAC name is 2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole
PubChem CID102008085
Molecular FormulaC11H6Cl2N4
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole
SMILESClc1cc(Cl)nc(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C11H6Cl2N4/c12-8-5-9(13)17-11(16-8)10-14-6-3-1-2-4-7(6)15-10/h1-5H,(H,14,15)
InChIKeyCKJNGFFFBTULQP-UHFFFAOYSA-N
XLogP3.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637718
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
2-phenyl-1H-benzimidazole;zinc
CID 174639851
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole
CID 58037969
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
2-chloro-1H-benzimidazole;methane
CID 143998416
2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole
CID 168555540
2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole (CID 102008085) is 2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole is Clc1cc(Cl)nc(-c2nc3ccccc3[nH]2)n1.
What is the InChIKey of 2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole?
The InChIKey is CKJNGFFFBTULQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4/c12-8-5-9(13)17-11(16-8)10-14-6-3-1-2-4-7(6)15-10/h1-5H,(H,14,15).
What are the key properties of 2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole?
2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole has a molecular weight of 265.10 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole is sourced from PubChem (CID 102008085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).