5,6-dibromo-1-ethyl-2-piperazin-1-yl-4-(trifluoromethyl)benzimidazole

C14H15Br2F3N4 — CID 118524545

IUPAC5,6-dibromo-1-ethyl-2-piperazin-1-yl-4-(trifluoromethyl)benzimidazole
SMILESCCn1c(N2CCNCC2)nc2c(C(F)(F)F)c(Br)c(Br)cc21
InChIInChI=1S/C14H15Br2F3N4/c1-2-23-9-7-8(15)11(16)10(14(17,18)19)12(9)21-13(23)22-5-3-20-4-6-22/h7,20H,2-6H2,1H3
InChIKeyJNZJWDNSRXEVKU-UHFFFAOYSA-N
MW456.10 g/mol
LogP4.01
Rot. Bonds2

About 5,6-dibromo-1-ethyl-2-piperazin-1-yl-4-(trifluoromethyl)benzimidazole

5,6-dibromo-1-ethyl-2-piperazin-1-yl-4-(trifluoromethyl)benzimidazole (PubChem CID 118524545) has the molecular formula C14H15Br2F3N4 and a molecular weight of 456.10 g/mol. Its IUPAC name is 5,6-dibromo-1-ethyl-2-piperazin-1-yl-4-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name5,6-dibromo-1-ethyl-2-piperazin-1-yl-4-(trifluoromethyl)benzimidazole
PubChem CID118524545
Molecular FormulaC14H15Br2F3N4
Molecular Weight456.10 g/mol
Exact Mass453.96
IUPAC Name5,6-dibromo-1-ethyl-2-piperazin-1-yl-4-(trifluoromethyl)benzimidazole
SMILESCCn1c(N2CCNCC2)nc2c(C(F)(F)F)c(Br)c(Br)cc21
InChIInChI=1S/C14H15Br2F3N4/c1-2-23-9-7-8(15)11(16)10(14(17,18)19)12(9)21-13(23)22-5-3-20-4-6-22/h7,20H,2-6H2,1H3
InChIKeyJNZJWDNSRXEVKU-UHFFFAOYSA-N
XLogP4.01
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.10
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dibromo-4-nitro-2-piperazin-1-yl-1-(2-piperazin-1-ylethyl)benzimidazole
CID 118524557
2-(5,6-dibromo-4-nitro-2-piperazin-1-ylbenzimidazol-1-yl)ethanol;hydrochloride
CID 135144665
5,6-dibromo-4-nitro-2-piperazin-1-yl-1-prop-2-ynylbenzimidazole;hydrochloride
CID 118524567
5,6-dichloro-1-ethyl-4-nitro-2-piperazin-1-ylbenzimidazole;hydrochloride
CID 135144731
3-(5,6-dibromo-4-nitro-2-piperazin-1-ylbenzimidazol-1-yl)propan-1-amine;hydrochloride
CID 118524551
1-benzyl-4,5,6,7-tetrabromo-2-piperazin-1-ylbenzimidazole
CID 52935608
4-bromo-1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole
CID 152508100
2,5,6-tribromo-1-ethylbenzimidazol-4-amine
CID 135161024
9-ethyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
CID 82463704
4,6,7-tribromo-1,5-dimethyl-2-piperazin-1-ylbenzimidazole
CID 123673392
4-bromo-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole
CID 151900391
[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazol-4-yl]methanol
CID 153290555

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-1-ethyl-2-piperazin-1-yl-4-(trifluoromethyl)benzimidazole?
The IUPAC name of 5,6-dibromo-1-ethyl-2-piperazin-1-yl-4-(trifluoromethyl)benzimidazole (CID 118524545) is 5,6-dibromo-1-ethyl-2-piperazin-1-yl-4-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 5,6-dibromo-1-ethyl-2-piperazin-1-yl-4-(trifluoromethyl)benzimidazole?
The canonical SMILES for 5,6-dibromo-1-ethyl-2-piperazin-1-yl-4-(trifluoromethyl)benzimidazole is CCn1c(N2CCNCC2)nc2c(C(F)(F)F)c(Br)c(Br)cc21.
What is the InChIKey of 5,6-dibromo-1-ethyl-2-piperazin-1-yl-4-(trifluoromethyl)benzimidazole?
The InChIKey is JNZJWDNSRXEVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2F3N4/c1-2-23-9-7-8(15)11(16)10(14(17,18)19)12(9)21-13(23)22-5-3-20-4-6-22/h7,20H,2-6H2,1H3.
What are the key properties of 5,6-dibromo-1-ethyl-2-piperazin-1-yl-4-(trifluoromethyl)benzimidazole?
5,6-dibromo-1-ethyl-2-piperazin-1-yl-4-(trifluoromethyl)benzimidazole has a molecular weight of 456.10 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-1-ethyl-2-piperazin-1-yl-4-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 118524545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).