6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole

C15H18BrClN2 — CID 113479145

IUPAC6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Br)cc2n1CCC1CCC1
InChIInChI=1S/C15H18BrClN2/c1-10(17)15-18-13-6-5-12(16)9-14(13)19(15)8-7-11-3-2-4-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyPBDMHTAEKAEOLP-UHFFFAOYSA-N
MW341.68 g/mol
LogP5.29
Rot. Bonds4

About 6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole

6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole (PubChem CID 113479145) has the molecular formula C15H18BrClN2 and a molecular weight of 341.68 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
PubChem CID113479145
Molecular FormulaC15H18BrClN2
Molecular Weight341.68 g/mol
Exact Mass340.03
IUPAC Name6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Br)cc2n1CCC1CCC1
InChIInChI=1S/C15H18BrClN2/c1-10(17)15-18-13-6-5-12(16)9-14(13)19(15)8-7-11-3-2-4-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyPBDMHTAEKAEOLP-UHFFFAOYSA-N
XLogP5.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.68
LogP ≤ 55.29
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

5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole
CID 63545211
5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 63544857
2-(1-chloroethyl)-1-(2-cyclobutylethyl)-5-methylbenzimidazole
CID 113479126
6-bromo-2-(1-chloroethyl)-1-(thiolan-2-ylmethyl)benzimidazole
CID 80585799
6-bromo-2-(1-chloroethyl)-1-(5-methylhexyl)benzimidazole
CID 115326631
2-(1-chloroethyl)-1-(2-cyclohexylethyl)-5-methylbenzimidazole
CID 63545213
4-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 65346195
6-chloro-2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 115471062
6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 65344662
6-bromo-1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 65345047
1-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 65346141
6-bromo-2-(1-chloroethyl)-1-[(1-methylpyrazol-3-yl)methyl]benzimidazole
CID 82873445

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole (CID 113479145) is 6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole is CC(Cl)c1nc2ccc(Br)cc2n1CCC1CCC1.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole?
The InChIKey is PBDMHTAEKAEOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2/c1-10(17)15-18-13-6-5-12(16)9-14(13)19(15)8-7-11-3-2-4-11/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole?
6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole has a molecular weight of 341.68 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole is sourced from PubChem (CID 113479145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).