6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole

C15H12BrClFN3 — CID 116738645

IUPAC6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole
SMILESFc1cc2nc(CCCl)n(Cc3cccnc3)c2cc1Br
InChIInChI=1S/C15H12BrClFN3/c16-11-6-14-13(7-12(11)18)20-15(3-4-17)21(14)9-10-2-1-5-19-8-10/h1-2,5-8H,3-4,9H2
InChIKeySVCCWLDMYDGZDP-UHFFFAOYSA-N
MW368.64 g/mol
LogP4.16
Rot. Bonds4

About 6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole

6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole (PubChem CID 116738645) has the molecular formula C15H12BrClFN3 and a molecular weight of 368.64 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole
PubChem CID116738645
Molecular FormulaC15H12BrClFN3
Molecular Weight368.64 g/mol
Exact Mass366.99
IUPAC Name6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole
SMILESFc1cc2nc(CCCl)n(Cc3cccnc3)c2cc1Br
InChIInChI=1S/C15H12BrClFN3/c16-11-6-14-13(7-12(11)18)20-15(3-4-17)21(14)9-10-2-1-5-19-8-10/h1-2,5-8H,3-4,9H2
InChIKeySVCCWLDMYDGZDP-UHFFFAOYSA-N
XLogP4.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole
CID 43666644
2-(2-chloroethyl)-4,6-difluoro-1-(pyridin-3-ylmethyl)benzimidazole
CID 115509074
6-bromo-2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]-5-fluorobenzimidazole
CID 116739134
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazole
CID 66088069
2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole
CID 43660329
6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)-5-fluorobenzimidazole
CID 114943358
5-bromo-1-[(4-bromophenyl)methyl]-2-(2-chloroethyl)benzimidazole
CID 60780183
2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 43666558
6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 116738653
5-bromo-2-(2-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]benzimidazole
CID 62990728
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-imidazol-1-ylethyl)benzimidazole
CID 66086160
2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 55079755

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole (CID 116738645) is 6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole is Fc1cc2nc(CCCl)n(Cc3cccnc3)c2cc1Br.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole?
The InChIKey is SVCCWLDMYDGZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFN3/c16-11-6-14-13(7-12(11)18)20-15(3-4-17)21(14)9-10-2-1-5-19-8-10/h1-2,5-8H,3-4,9H2.
What are the key properties of 6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole?
6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole has a molecular weight of 368.64 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-5-fluoro-1-(pyridin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 116738645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).