4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole

C18H12BrClN4 — CID 143269331

IUPAC4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole
SMILESCc1cc(Br)c2nc(-c3ccc(-c4ncccc4Cl)cn3)[nH]c2c1
InChIInChI=1S/C18H12BrClN4/c1-10-7-12(19)17-15(8-10)23-18(24-17)14-5-4-11(9-22-14)16-13(20)3-2-6-21-16/h2-9H,1H3,(H,23,24)
InChIKeyOQZNSDCAJKUHOU-UHFFFAOYSA-N
MW399.68 g/mol
LogP5.41
Rot. Bonds2

About 4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole

4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole (PubChem CID 143269331) has the molecular formula C18H12BrClN4 and a molecular weight of 399.68 g/mol. Its IUPAC name is 4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole
PubChem CID143269331
Molecular FormulaC18H12BrClN4
Molecular Weight399.68 g/mol
Exact Mass397.99
IUPAC Name4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole
SMILESCc1cc(Br)c2nc(-c3ccc(-c4ncccc4Cl)cn3)[nH]c2c1
InChIInChI=1S/C18H12BrClN4/c1-10-7-12(19)17-15(8-10)23-18(24-17)14-5-4-11(9-22-14)16-13(20)3-2-6-21-16/h2-9H,1H3,(H,23,24)
InChIKeyOQZNSDCAJKUHOU-UHFFFAOYSA-N
XLogP5.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.68
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-[6-(4,6-dibromo-1H-benzimidazol-2-yl)-3-pyridinyl]-N-ethylpyridine-3-carboxamide
CID 25061452
2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole
CID 143269327
6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 82946936
2-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 104740767
2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole
CID 143269353
4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole
CID 91530135
4-(4-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
CID 84636861
3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428
2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773183
3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82946597
(4-bromo-6-methyl-1H-benzimidazol-2-yl)hydrazine
CID 84629932
6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole
CID 91686337

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole (CID 143269331) is 4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole is Cc1cc(Br)c2nc(-c3ccc(-c4ncccc4Cl)cn3)[nH]c2c1.
What is the InChIKey of 4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole?
The InChIKey is OQZNSDCAJKUHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN4/c1-10-7-12(19)17-15(8-10)23-18(24-17)14-5-4-11(9-22-14)16-13(20)3-2-6-21-16/h2-9H,1H3,(H,23,24).
What are the key properties of 4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole?
4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole has a molecular weight of 399.68 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 143269331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).