2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole

C17H10ClF3N2O — CID 141004224

IUPAC2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole
SMILESFC(F)(F)C1C=Cc2cc(Cl)cc(-c3nc4ccccc4[nH]3)c2O1
InChIInChI=1S/C17H10ClF3N2O/c18-10-7-9-5-6-14(17(19,20)21)24-15(9)11(8-10)16-22-12-3-1-2-4-13(12)23-16/h1-8,14H,(H,22,23)
InChIKeyRWNFGWBCVFVGTD-UHFFFAOYSA-N
MW350.73 g/mol
LogP5.22
Rot. Bonds1

About 2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole

2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole (PubChem CID 141004224) has the molecular formula C17H10ClF3N2O and a molecular weight of 350.73 g/mol. Its IUPAC name is 2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole
PubChem CID141004224
Molecular FormulaC17H10ClF3N2O
Molecular Weight350.73 g/mol
Exact Mass350.04
IUPAC Name2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole
SMILESFC(F)(F)C1C=Cc2cc(Cl)cc(-c3nc4ccccc4[nH]3)c2O1
InChIInChI=1S/C17H10ClF3N2O/c18-10-7-9-5-6-14(17(19,20)21)24-15(9)11(8-10)16-22-12-3-1-2-4-13(12)23-16/h1-8,14H,(H,22,23)
InChIKeyRWNFGWBCVFVGTD-UHFFFAOYSA-N
XLogP5.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.73
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-bromo-2,5-bis(trifluoromethyl)phenyl]-1H-benzimidazole
CID 168555452
2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole
CID 102008085
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol
CID 168555704
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
2-[3-(3,5-dichlorophenyl)indolizin-2-yl]-1H-benzimidazole
CID 102517498
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554031
2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole
CID 168555540
2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole?
The IUPAC name of 2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole (CID 141004224) is 2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole?
The canonical SMILES for 2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole is FC(F)(F)C1C=Cc2cc(Cl)cc(-c3nc4ccccc4[nH]3)c2O1.
What is the InChIKey of 2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole?
The InChIKey is RWNFGWBCVFVGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O/c18-10-7-9-5-6-14(17(19,20)21)24-15(9)11(8-10)16-22-12-3-1-2-4-13(12)23-16/h1-8,14H,(H,22,23).
What are the key properties of 2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole?
2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole has a molecular weight of 350.73 g/mol, XLogP of 5.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(trifluoromethyl)-2H-chromen-8-yl]-1H-benzimidazole is sourced from PubChem (CID 141004224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).