5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole

C18H13BrN4 — CID 70847947

IUPAC5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole
SMILESCc1ccc(-n2c(-c3ccccn3)nc3cc(Br)ccc32)cn1
InChIInChI=1S/C18H13BrN4/c1-12-5-7-14(11-21-12)23-17-8-6-13(19)10-16(17)22-18(23)15-4-2-3-9-20-15/h2-11H,1H3
InChIKeySIYHVLWBHKLDPH-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.55
Rot. Bonds2

About 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole

5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole (PubChem CID 70847947) has the molecular formula C18H13BrN4 and a molecular weight of 365.23 g/mol. Its IUPAC name is 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole.

Molecular Properties

Compound Name5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole
PubChem CID70847947
Molecular FormulaC18H13BrN4
Molecular Weight365.23 g/mol
Exact Mass364.03
IUPAC Name5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole
SMILESCc1ccc(-n2c(-c3ccccn3)nc3cc(Br)ccc32)cn1
InChIInChI=1S/C18H13BrN4/c1-12-5-7-14(11-21-12)23-17-8-6-13(19)10-16(17)22-18(23)15-4-2-3-9-20-15/h2-11H,1H3
InChIKeySIYHVLWBHKLDPH-UHFFFAOYSA-N
XLogP4.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole?
The IUPAC name of 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole (CID 70847947) is 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole.
What is the SMILES notation for 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole?
The canonical SMILES for 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole is Cc1ccc(-n2c(-c3ccccn3)nc3cc(Br)ccc32)cn1.
What is the InChIKey of 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole?
The InChIKey is SIYHVLWBHKLDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4/c1-12-5-7-14(11-21-12)23-17-8-6-13(19)10-16(17)22-18(23)15-4-2-3-9-20-15/h2-11H,1H3.
What are the key properties of 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole?
5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole has a molecular weight of 365.23 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(6-methyl-3-pyridinyl)-2-pyridin-2-ylbenzimidazole is sourced from PubChem (CID 70847947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).