2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole

C13H6ClF3N2 — CID 168555540

IUPAC2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole
SMILESFc1cc(Cl)c(F)c(F)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C13H6ClF3N2/c14-6-5-7(15)10(12(17)11(6)16)13-18-8-3-1-2-4-9(8)19-13/h1-5H,(H,18,19)
InChIKeyVEQYXPDBPBONBI-UHFFFAOYSA-N
MW282.65 g/mol
LogP4.30
Rot. Bonds1

About 2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole

2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole (PubChem CID 168555540) has the molecular formula C13H6ClF3N2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole
PubChem CID168555540
Molecular FormulaC13H6ClF3N2
Molecular Weight282.65 g/mol
Exact Mass282.02
IUPAC Name2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole
SMILESFc1cc(Cl)c(F)c(F)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C13H6ClF3N2/c14-6-5-7(15)10(12(17)11(6)16)13-18-8-3-1-2-4-9(8)19-13/h1-5H,(H,18,19)
InChIKeyVEQYXPDBPBONBI-UHFFFAOYSA-N
XLogP4.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole
CID 129318090
2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole
CID 168555419
2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole
CID 102008085
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 168555718
2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole
CID 168555276
2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 60979200
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
CID 26264638
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline
CID 168555282
2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole
CID 168555432

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole?
The IUPAC name of 2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole (CID 168555540) is 2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole is Fc1cc(Cl)c(F)c(F)c1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole?
The InChIKey is VEQYXPDBPBONBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2/c14-6-5-7(15)10(12(17)11(6)16)13-18-8-3-1-2-4-9(8)19-13/h1-5H,(H,18,19).
What are the key properties of 2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole?
2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole has a molecular weight of 282.65 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole is sourced from PubChem (CID 168555540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).