6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole

C16H16BrClN2S — CID 65346021

IUPAC6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Br)cc2n1C(C)Cc1cccs1
InChIInChI=1S/C16H16BrClN2S/c1-10(8-13-4-3-7-21-13)20-15-9-12(17)5-6-14(15)19-16(20)11(2)18/h3-7,9-11H,8H2,1-2H3
InChIKeyKWNRTCRBUDRSRF-UHFFFAOYSA-N
MW383.74 g/mol
LogP5.96
Rot. Bonds4

About 6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole

6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole (PubChem CID 65346021) has the molecular formula C16H16BrClN2S and a molecular weight of 383.74 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole
PubChem CID65346021
Molecular FormulaC16H16BrClN2S
Molecular Weight383.74 g/mol
Exact Mass381.99
IUPAC Name6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Br)cc2n1C(C)Cc1cccs1
InChIInChI=1S/C16H16BrClN2S/c1-10(8-13-4-3-7-21-13)20-15-9-12(17)5-6-14(15)19-16(20)11(2)18/h3-7,9-11H,8H2,1-2H3
InChIKeyKWNRTCRBUDRSRF-UHFFFAOYSA-N
XLogP5.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.74
LogP ≤ 55.96
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

6-bromo-2-(1-chloroethyl)-1-pentan-2-ylbenzimidazole
CID 65345209
6-bromo-2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 65344800
6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(1-chloroethyl)benzimidazole
CID 65346717
2-(2-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole
CID 63292395
6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 65345047
2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole
CID 62375834
6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
CID 65347412
6-bromo-2-(1-chloroethyl)-1-(5-methylhexyl)benzimidazole
CID 115326631
methyl 2-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-3-methylbutanoate
CID 65346234
2-[[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 65346321
5-bromo-2-(1-chloroethyl)-1-propan-2-ylbenzimidazole
CID 43666134
2-(1-chloroethyl)-3-(1-thiophen-2-ylethyl)benzimidazole-5-carbonitrile
CID 104715446

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole (CID 65346021) is 6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole is CC(Cl)c1nc2ccc(Br)cc2n1C(C)Cc1cccs1.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole?
The InChIKey is KWNRTCRBUDRSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2S/c1-10(8-13-4-3-7-21-13)20-15-9-12(17)5-6-14(15)19-16(20)11(2)18/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole?
6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole has a molecular weight of 383.74 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole is sourced from PubChem (CID 65346021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).