5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole

C14H12BrClN4 — CID 106897013

IUPAC5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole
SMILESClCCc1nc2cc(Br)ccc2n1Cc1cccnn1
InChIInChI=1S/C14H12BrClN4/c15-10-3-4-13-12(8-10)18-14(5-6-16)20(13)9-11-2-1-7-17-19-11/h1-4,7-8H,5-6,9H2
InChIKeyZDRPZHABRJWQQE-UHFFFAOYSA-N
MW351.64 g/mol
LogP3.42
Rot. Bonds4

About 5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole

5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole (PubChem CID 106897013) has the molecular formula C14H12BrClN4 and a molecular weight of 351.64 g/mol. Its IUPAC name is 5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole
PubChem CID106897013
Molecular FormulaC14H12BrClN4
Molecular Weight351.64 g/mol
Exact Mass349.99
IUPAC Name5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole
SMILESClCCc1nc2cc(Br)ccc2n1Cc1cccnn1
InChIInChI=1S/C14H12BrClN4/c15-10-3-4-13-12(8-10)18-14(5-6-16)20(13)9-11-2-1-7-17-19-11/h1-4,7-8H,5-6,9H2
InChIKeyZDRPZHABRJWQQE-UHFFFAOYSA-N
XLogP3.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 53.42
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

5-bromo-1-[(4-bromophenyl)methyl]-2-(2-chloroethyl)benzimidazole
CID 60780183
5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole
CID 43666644
2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole
CID 106896969
4-[[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
CID 63823547
5-bromo-2-(2-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]benzimidazole
CID 62990728
5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
CID 43666409
5-bromo-2-(2-chloroethyl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 63330507
6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 65345066
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazole
CID 66088069
5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479132
5-bromo-2-(chloromethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 62117759
6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole
CID 65346016

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole?
The IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole (CID 106897013) is 5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole is ClCCc1nc2cc(Br)ccc2n1Cc1cccnn1.
What is the InChIKey of 5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole?
The InChIKey is ZDRPZHABRJWQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN4/c15-10-3-4-13-12(8-10)18-14(5-6-16)20(13)9-11-2-1-7-17-19-11/h1-4,7-8H,5-6,9H2.
What are the key properties of 5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole?
5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole has a molecular weight of 351.64 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 106897013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).