6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole

C18H13ClN4 — CID 69234463

IUPAC6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole
SMILESCc1ccc(-c2cccc(-c3nc4ccc(Cl)cc4[nH]3)n2)nc1
InChIInChI=1S/C18H13ClN4/c1-11-5-7-13(20-10-11)14-3-2-4-16(21-14)18-22-15-8-6-12(19)9-17(15)23-18/h2-10H,1H3,(H,22,23)
InChIKeyPEIUAZKCYTVBNL-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.65
Rot. Bonds2

About 6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole

6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole (PubChem CID 69234463) has the molecular formula C18H13ClN4 and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole
PubChem CID69234463
Molecular FormulaC18H13ClN4
Molecular Weight320.78 g/mol
Exact Mass320.08
IUPAC Name6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole
SMILESCc1ccc(-c2cccc(-c3nc4ccc(Cl)cc4[nH]3)n2)nc1
InChIInChI=1S/C18H13ClN4/c1-11-5-7-13(20-10-11)14-3-2-4-16(21-14)18-22-15-8-6-12(19)9-17(15)23-18/h2-10H,1H3,(H,22,23)
InChIKeyPEIUAZKCYTVBNL-UHFFFAOYSA-N
XLogP4.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 64724542
2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 62958312
2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 104639104
2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride
CID 139238299
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428
2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol
CID 135988298
3-(6-chloro-1H-benzimidazol-2-yl)quinoline
CID 141307841
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole
CID 60980804
6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
CID 60975061
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole (CID 69234463) is 6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole is Cc1ccc(-c2cccc(-c3nc4ccc(Cl)cc4[nH]3)n2)nc1.
What is the InChIKey of 6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole?
The InChIKey is PEIUAZKCYTVBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4/c1-11-5-7-13(20-10-11)14-3-2-4-16(21-14)18-22-15-8-6-12(19)9-17(15)23-18/h2-10H,1H3,(H,22,23).
What are the key properties of 6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole?
6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole has a molecular weight of 320.78 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 69234463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).