5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole

C14H7BrClF3N2O — CID 154116934

IUPAC5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2cc(Oc3ccc(Br)cc3)c(Cl)cc2[nH]1
InChIInChI=1S/C14H7BrClF3N2O/c15-7-1-3-8(4-2-7)22-12-6-11-10(5-9(12)16)20-13(21-11)14(17,18)19/h1-6H,(H,20,21)
InChIKeyCMCCPPUAGKCHDX-UHFFFAOYSA-N
MW391.57 g/mol
LogP5.79
Rot. Bonds2

About 5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole

5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole (PubChem CID 154116934) has the molecular formula C14H7BrClF3N2O and a molecular weight of 391.57 g/mol. Its IUPAC name is 5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole
PubChem CID154116934
Molecular FormulaC14H7BrClF3N2O
Molecular Weight391.57 g/mol
Exact Mass389.94
IUPAC Name5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2cc(Oc3ccc(Br)cc3)c(Cl)cc2[nH]1
InChIInChI=1S/C14H7BrClF3N2O/c15-7-1-3-8(4-2-7)22-12-6-11-10(5-9(12)16)20-13(21-11)14(17,18)19/h1-6H,(H,20,21)
InChIKeyCMCCPPUAGKCHDX-UHFFFAOYSA-N
XLogP5.79
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.57
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-5-[4-chloro-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
CID 154140309
6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-1H-benzimidazole
CID 19086708
6-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 154400368
6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole
CID 119085035
2-bromo-6-chloro-5-(difluoromethoxy)-1H-benzimidazole
CID 131474624
6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 123142379
N-[3-chloro-4-[(2-cyano-4-pyridinyl)oxy]anilino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]formamide
CID 87516275
2-(trifluoromethyl)-3H-benzimidazol-5-amine;dihydrochloride
CID 6431732
2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride
CID 53347635
2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole
CID 119085033
1-bromo-4-(2-chlorophenoxy)benzene
CID 21454528
(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
CID 78941541

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole (CID 154116934) is 5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1nc2cc(Oc3ccc(Br)cc3)c(Cl)cc2[nH]1.
What is the InChIKey of 5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is CMCCPPUAGKCHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClF3N2O/c15-7-1-3-8(4-2-7)22-12-6-11-10(5-9(12)16)20-13(21-11)14(17,18)19/h1-6H,(H,20,21).
What are the key properties of 5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole?
5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 391.57 g/mol, XLogP of 5.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenoxy)-6-chloro-2-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 154116934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).