5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethenyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;methane

C59H51BrN12 — CID 157394933

IUPAC5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethenyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;methane
SMILESC.C=Cc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(C)nc1.CCc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(C)nc1.Cc1ccc(-n2c(-c3ccccn3)nc3cc(Br)ccc32)cn1
InChIInChI=1S/C20H18N4.C20H16N4.C18H13BrN4.CH4/c2*1-3-15-8-10-19-18(12-15)23-20(17-6-4-5-11-21-17)24(19)16-9-7-14(2)22-13-16;1-12-5-7-14(11-21-12)23-17-8-6-13(19)10-16(17)22-18(23)15-4-2-3-9-20-15;/h4-13H,3H2,1-2H3;3-13H,1H2,2H3;2-11H,1H3;1H4
InChIKeyBMLMJFMLWBKSKE-UHFFFAOYSA-N
MW1008.05 g/mol
LogP13.98
Rot. Bonds8

About 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethenyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;methane

5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethenyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;methane (PubChem CID 157394933) has the molecular formula C59H51BrN12 and a molecular weight of 1008.05 g/mol. Its IUPAC name is 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethenyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;methane.

Molecular Properties

Compound Name5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethenyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;methane
PubChem CID157394933
Molecular FormulaC59H51BrN12
Molecular Weight1008.05 g/mol
Exact Mass1006.35
IUPAC Name5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethenyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;methane
SMILESC.C=Cc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(C)nc1.CCc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(C)nc1.Cc1ccc(-n2c(-c3ccccn3)nc3cc(Br)ccc32)cn1
InChIInChI=1S/C20H18N4.C20H16N4.C18H13BrN4.CH4/c2*1-3-15-8-10-19-18(12-15)23-20(17-6-4-5-11-21-17)24(19)16-9-7-14(2)22-13-16;1-12-5-7-14(11-21-12)23-17-8-6-13(19)10-16(17)22-18(23)15-4-2-3-9-20-15;/h4-13H,3H2,1-2H3;3-13H,1H2,2H3;2-11H,1H3;1H4
InChIKeyBMLMJFMLWBKSKE-UHFFFAOYSA-N
XLogP13.98
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001008.05
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethenyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;methane?
The IUPAC name of 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethenyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;methane (CID 157394933) is 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethenyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;methane.
What is the SMILES notation for 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethenyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;methane?
The canonical SMILES for 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethenyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;methane is C.C=Cc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(C)nc1.CCc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(C)nc1.Cc1ccc(-n2c(-c3ccccn3)nc3cc(Br)ccc32)cn1.
What is the InChIKey of 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethenyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;methane?
The InChIKey is BMLMJFMLWBKSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4.C20H16N4.C18H13BrN4.CH4/c2*1-3-15-8-10-19-18(12-15)23-20(17-6-4-5-11-21-17)24(19)16-9-7-14(2)22-13-16;1-12-5-7-14(11-21-12)23-17-8-6-13(19)10-16(17)22-18(23)15-4-2-3-9-20-15;/h4-13H,3H2,1-2H3;3-13H,1H2,2H3;2-11H,1H3;1H4.
What are the key properties of 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethenyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;methane?
5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethenyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;methane has a molecular weight of 1008.05 g/mol, XLogP of 13.98, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethenyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;5-ethyl-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole;methane is sourced from PubChem (CID 157394933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).