6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole

C15H14BrClN4 — CID 65346016

IUPAC6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole
SMILESCc1cnc(Cn2c(CCCl)nc3ccc(Br)cc32)cn1
InChIInChI=1S/C15H14BrClN4/c1-10-7-19-12(8-18-10)9-21-14-6-11(16)2-3-13(14)20-15(21)4-5-17/h2-3,6-8H,4-5,9H2,1H3
InChIKeyHROFSQWHWPDJEM-UHFFFAOYSA-N
MW365.66 g/mol
LogP3.73
Rot. Bonds4

About 6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole

6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole (PubChem CID 65346016) has the molecular formula C15H14BrClN4 and a molecular weight of 365.66 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole
PubChem CID65346016
Molecular FormulaC15H14BrClN4
Molecular Weight365.66 g/mol
Exact Mass364.01
IUPAC Name6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole
SMILESCc1cnc(Cn2c(CCCl)nc3ccc(Br)cc32)cn1
InChIInChI=1S/C15H14BrClN4/c1-10-7-19-12(8-18-10)9-21-14-6-11(16)2-3-13(14)20-15(21)4-5-17/h2-3,6-8H,4-5,9H2,1H3
InChIKeyHROFSQWHWPDJEM-UHFFFAOYSA-N
XLogP3.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-5-methyl-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole
CID 62847056
5-bromo-2-(2-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]benzimidazole
CID 62990728
6-bromo-2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]benzimidazole
CID 65346156
6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 65345066
2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 65346520
1-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 65346142
5-bromo-1-[(4-bromophenyl)methyl]-2-(2-chloroethyl)benzimidazole
CID 60780183
2-(2-chloroethyl)-6-fluoro-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole
CID 62377393
6-bromo-2-(chloromethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole
CID 106036776
4-[[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
CID 63823547
6-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole
CID 114943389
6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 65344662

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole (CID 65346016) is 6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole is Cc1cnc(Cn2c(CCCl)nc3ccc(Br)cc32)cn1.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole?
The InChIKey is HROFSQWHWPDJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN4/c1-10-7-19-12(8-18-10)9-21-14-6-11(16)2-3-13(14)20-15(21)4-5-17/h2-3,6-8H,4-5,9H2,1H3.
What are the key properties of 6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole?
6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole has a molecular weight of 365.66 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole is sourced from PubChem (CID 65346016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).