2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole

C15H10ClF3N2 — CID 81455928

IUPAC2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(Cc3cccc(Cl)c3)[nH]c2c1
InChIInChI=1S/C15H10ClF3N2/c16-11-3-1-2-9(6-11)7-14-20-12-5-4-10(15(17,18)19)8-13(12)21-14/h1-6,8H,7H2,(H,20,21)
InChIKeyCCXOWAJYSRUYIT-UHFFFAOYSA-N
MW310.71 g/mol
LogP4.83
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole

2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 81455928) has the molecular formula C15H10ClF3N2 and a molecular weight of 310.71 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID81455928
Molecular FormulaC15H10ClF3N2
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(Cc3cccc(Cl)c3)[nH]c2c1
InChIInChI=1S/C15H10ClF3N2/c16-11-3-1-2-9(6-11)7-14-20-12-5-4-10(15(17,18)19)8-13(12)21-14/h1-6,8H,7H2,(H,20,21)
InChIKeyCCXOWAJYSRUYIT-UHFFFAOYSA-N
XLogP4.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole
CID 62504109
6-chloro-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole
CID 2112207
6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
CID 60648883
2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine
CID 134084513
2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81456026
2-(ethoxymethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455926
(E)-N-hydroxy-3-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]prop-2-enamide;hydrochloride
CID 160812157
2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole
CID 82946873
2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526638
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole (CID 81455928) is 2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1ccc2nc(Cc3cccc(Cl)c3)[nH]c2c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is CCXOWAJYSRUYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2/c16-11-3-1-2-9(6-11)7-14-20-12-5-4-10(15(17,18)19)8-13(12)21-14/h1-6,8H,7H2,(H,20,21).
What are the key properties of 2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole?
2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 310.71 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 81455928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).