6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole

C14H11Br2ClN2S — CID 65346717

IUPAC6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Br)cc2n1Cc1cc(Br)cs1
InChIInChI=1S/C14H11Br2ClN2S/c1-8(17)14-18-12-3-2-9(15)5-13(12)19(14)6-11-4-10(16)7-20-11/h2-5,7-8H,6H2,1H3
InChIKeySRRHRNHVCZUZSV-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.97
Rot. Bonds3

About 6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole

6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole (PubChem CID 65346717) has the molecular formula C14H11Br2ClN2S and a molecular weight of 434.58 g/mol. Its IUPAC name is 6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole
PubChem CID65346717
Molecular FormulaC14H11Br2ClN2S
Molecular Weight434.58 g/mol
Exact Mass431.87
IUPAC Name6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Br)cc2n1Cc1cc(Br)cs1
InChIInChI=1S/C14H11Br2ClN2S/c1-8(17)14-18-12-3-2-9(15)5-13(12)19(14)6-11-4-10(16)7-20-11/h2-5,7-8H,6H2,1H3
InChIKeySRRHRNHVCZUZSV-UHFFFAOYSA-N
XLogP5.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.97
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

1-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-(1-chloroethyl)-6-fluorobenzimidazole
CID 66112200
2-[[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 65346321
6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)benzimidazole
CID 65346716
6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 65345047
5-[[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-3-methyl-1,2-oxazole
CID 65346238
6-bromo-2-(1-chloroethyl)-1-[(1-methylpyrazol-3-yl)methyl]benzimidazole
CID 82873445
1-[(4-bromophenyl)methyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115470996
6-bromo-2-(1-chloroethyl)-1-(5-methylhexyl)benzimidazole
CID 115326631
1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 65346141
4-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 65346195
2-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylacetamide
CID 65345135
6-bromo-2-(1-chloroethyl)-1-(thiolan-2-ylmethyl)benzimidazole
CID 80585799

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole?
The IUPAC name of 6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole (CID 65346717) is 6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole.
What is the SMILES notation for 6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole?
The canonical SMILES for 6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole is CC(Cl)c1nc2ccc(Br)cc2n1Cc1cc(Br)cs1.
What is the InChIKey of 6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole?
The InChIKey is SRRHRNHVCZUZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClN2S/c1-8(17)14-18-12-3-2-9(15)5-13(12)19(14)6-11-4-10(16)7-20-11/h2-5,7-8H,6H2,1H3.
What are the key properties of 6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole?
6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole has a molecular weight of 434.58 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole is sourced from PubChem (CID 65346717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).