6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole

C14H12BrN3 — CID 90412852

IUPAC6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole
SMILESBrc1ccc2ncn(CCc3cccnc3)c2c1
InChIInChI=1S/C14H12BrN3/c15-12-3-4-13-14(8-12)18(10-17-13)7-5-11-2-1-6-16-9-11/h1-4,6,8-10H,5,7H2
InChIKeyLFQRMCKESMOWKX-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.44
Rot. Bonds3

About 6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole

6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole (PubChem CID 90412852) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole
PubChem CID90412852
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole
SMILESBrc1ccc2ncn(CCc3cccnc3)c2c1
InChIInChI=1S/C14H12BrN3/c15-12-3-4-13-14(8-12)18(10-17-13)7-5-11-2-1-6-16-9-11/h1-4,6,8-10H,5,7H2
InChIKeyLFQRMCKESMOWKX-UHFFFAOYSA-N
XLogP3.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole?
The IUPAC name of 6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole (CID 90412852) is 6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole.
What is the SMILES notation for 6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole?
The canonical SMILES for 6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole is Brc1ccc2ncn(CCc3cccnc3)c2c1.
What is the InChIKey of 6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole?
The InChIKey is LFQRMCKESMOWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c15-12-3-4-13-14(8-12)18(10-17-13)7-5-11-2-1-6-16-9-11/h1-4,6,8-10H,5,7H2.
What are the key properties of 6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole?
6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole has a molecular weight of 302.18 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole is sourced from PubChem (CID 90412852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).