4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole

C15H10Br2Cl2N2 — CID 107601557

IUPAC4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
SMILESCC(Cl)c1nc2c(Cl)cccc2n1-c1c(Br)cccc1Br
InChIInChI=1S/C15H10Br2Cl2N2/c1-8(18)15-20-13-11(19)6-3-7-12(13)21(15)14-9(16)4-2-5-10(14)17/h2-8H,1H3
InChIKeyUXKRYQDCMSSMDC-UHFFFAOYSA-N
MW448.97 g/mol
LogP6.50
Rot. Bonds2

About 4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole

4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole (PubChem CID 107601557) has the molecular formula C15H10Br2Cl2N2 and a molecular weight of 448.97 g/mol. Its IUPAC name is 4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
PubChem CID107601557
Molecular FormulaC15H10Br2Cl2N2
Molecular Weight448.97 g/mol
Exact Mass445.86
IUPAC Name4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
SMILESCC(Cl)c1nc2c(Cl)cccc2n1-c1c(Br)cccc1Br
InChIInChI=1S/C15H10Br2Cl2N2/c1-8(18)15-20-13-11(19)6-3-7-12(13)21(15)14-9(16)4-2-5-10(14)17/h2-8H,1H3
InChIKeyUXKRYQDCMSSMDC-UHFFFAOYSA-N
XLogP6.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.97
LogP ≤ 56.50
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

4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole
CID 104837537
4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 104837313
4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 104837546
4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 104837748
6-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601547
5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601498
2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine
CID 107601553
4-chloro-2-(1-chloroethyl)-1-(2-pyrrolidin-1-ylpropyl)benzimidazole
CID 104838530
4-chloro-2-(1-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 104838172
2-bromo-4-chloro-1-propan-2-ylbenzimidazole
CID 83845123
1-(3-bromo-4-fluorophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 104780060
1-(4-bromo-3-fluorophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 65437772

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole?
The IUPAC name of 4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole (CID 107601557) is 4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole is CC(Cl)c1nc2c(Cl)cccc2n1-c1c(Br)cccc1Br.
What is the InChIKey of 4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole?
The InChIKey is UXKRYQDCMSSMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2Cl2N2/c1-8(18)15-20-13-11(19)6-3-7-12(13)21(15)14-9(16)4-2-5-10(14)17/h2-8H,1H3.
What are the key properties of 4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole?
4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole has a molecular weight of 448.97 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole is sourced from PubChem (CID 107601557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).