1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole

C15H10BrClF2N2 — CID 63547596

IUPAC1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole
SMILESCC(Cl)c1nc2ccc(F)c(F)c2n1-c1ccccc1Br
InChIInChI=1S/C15H10BrClF2N2/c1-8(17)15-20-11-7-6-10(18)13(19)14(11)21(15)12-5-3-2-4-9(12)16/h2-8H,1H3
InChIKeyLYRAVJDKHAEKNL-UHFFFAOYSA-N
MW371.61 g/mol
LogP5.37
Rot. Bonds2

About 1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole

1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole (PubChem CID 63547596) has the molecular formula C15H10BrClF2N2 and a molecular weight of 371.61 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole
PubChem CID63547596
Molecular FormulaC15H10BrClF2N2
Molecular Weight371.61 g/mol
Exact Mass369.97
IUPAC Name1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole
SMILESCC(Cl)c1nc2ccc(F)c(F)c2n1-c1ccccc1Br
InChIInChI=1S/C15H10BrClF2N2/c1-8(17)15-20-11-7-6-10(18)13(19)14(11)21(15)12-5-3-2-4-9(12)16/h2-8H,1H3
InChIKeyLYRAVJDKHAEKNL-UHFFFAOYSA-N
XLogP5.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 55.37
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

1-Phenylbenzimidazole deriv. 51
CID 639427
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CID 756794
6-bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo(d)imidazole
CID 56971662
2-(Chloromethyl)-1-methylbenzimidazole
CID 248044
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CID 43148844
2-(chloromethyl)-1-methyl-1H-1,3-benzodiazole hydrochloride
CID 12266803
5-bromo-1,2-dimethyl-1H-1,3-benzodiazole
CID 18379590
2-(chloromethyl)-1-(difluoromethyl)-1H-1,3-benzodiazole hydrochloride
CID 20850021
2-(chloromethyl)-1-(3-fluorophenyl)-1H-1,3-benzodiazole
CID 21248416
4-Bromo-2-chloro-1-methyl-1H-benzimidazole
CID 58065696
2-(chloromethyl)-6-fluoro-1-phenyl-1H-1,3-benzodiazole
CID 62377373

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole?
The IUPAC name of 1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole (CID 63547596) is 1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole.
What is the SMILES notation for 1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole?
The canonical SMILES for 1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole is CC(Cl)c1nc2ccc(F)c(F)c2n1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole?
The InChIKey is LYRAVJDKHAEKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2N2/c1-8(17)15-20-11-7-6-10(18)13(19)14(11)21(15)12-5-3-2-4-9(12)16/h2-8H,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole?
1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole has a molecular weight of 371.61 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole is sourced from PubChem (CID 63547596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).