6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole

C16H13BrCl2N2 — CID 65345066

IUPAC6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
SMILESClCCc1nc2ccc(Br)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C16H13BrCl2N2/c17-12-5-6-14-15(9-12)21(16(20-14)7-8-18)10-11-3-1-2-4-13(11)19/h1-6,9H,7-8,10H2
InChIKeyIVJUAZZGKMTXGB-UHFFFAOYSA-N
MW384.10 g/mol
LogP5.28
Rot. Bonds4

About 6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole

6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole (PubChem CID 65345066) has the molecular formula C16H13BrCl2N2 and a molecular weight of 384.10 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
PubChem CID65345066
Molecular FormulaC16H13BrCl2N2
Molecular Weight384.10 g/mol
Exact Mass381.96
IUPAC Name6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
SMILESClCCc1nc2ccc(Br)cc2n1Cc1ccccc1Cl
InChIInChI=1S/C16H13BrCl2N2/c17-12-5-6-14-15(9-12)21(16(20-14)7-8-18)10-11-3-1-2-4-13(11)19/h1-6,9H,7-8,10H2
InChIKeyIVJUAZZGKMTXGB-UHFFFAOYSA-N
XLogP5.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.10
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
CID 65344878
2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 29075827
6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
CID 115470803
5-bromo-1-[(4-bromophenyl)methyl]-2-(2-chloroethyl)benzimidazole
CID 60780183
6-bromo-2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]benzimidazole
CID 65346156
6-bromo-2-(2-chloroethyl)-1-[(5-methylpyrazin-2-yl)methyl]benzimidazole
CID 65346016
1-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 65346142
5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
CID 43666409
6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole
CID 65344548
5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole
CID 106897013
1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole
CID 63545046
5-bromo-2-(2-chloroethyl)-1-(pyridin-3-ylmethyl)benzimidazole
CID 43666644

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole (CID 65345066) is 6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole is ClCCc1nc2ccc(Br)cc2n1Cc1ccccc1Cl.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole?
The InChIKey is IVJUAZZGKMTXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2/c17-12-5-6-14-15(9-12)21(16(20-14)7-8-18)10-11-3-1-2-4-13(11)19/h1-6,9H,7-8,10H2.
What are the key properties of 6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole?
6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole has a molecular weight of 384.10 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole is sourced from PubChem (CID 65345066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).