5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole

C16H10F6N2 — CID 163973604

IUPAC5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
SMILESCc1cc2[nH]c(C(F)(F)C(F)(F)F)nc2cc1-c1ccc(F)cc1
InChIInChI=1S/C16H10F6N2/c1-8-6-12-13(7-11(8)9-2-4-10(17)5-3-9)24-14(23-12)15(18,19)16(20,21)22/h2-7H,1H3,(H,23,24)
InChIKeySSDWGADKBPBTOX-UHFFFAOYSA-N
MW344.26 g/mol
LogP5.33
Rot. Bonds2

About 5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole

5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole (PubChem CID 163973604) has the molecular formula C16H10F6N2 and a molecular weight of 344.26 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
PubChem CID163973604
Molecular FormulaC16H10F6N2
Molecular Weight344.26 g/mol
Exact Mass344.07
IUPAC Name5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
SMILESCc1cc2[nH]c(C(F)(F)C(F)(F)F)nc2cc1-c1ccc(F)cc1
InChIInChI=1S/C16H10F6N2/c1-8-6-12-13(7-11(8)9-2-4-10(17)5-3-9)24-14(23-12)15(18,19)16(20,21)22/h2-7H,1H3,(H,23,24)
InChIKeySSDWGADKBPBTOX-UHFFFAOYSA-N
XLogP5.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.26
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 123142379
5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 79631784
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79798998
5-[2,4-bis(trifluoromethyl)phenyl]-6-chloro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 86699574
2-(4-fluoro-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 112688356
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-benzo[f]benzimidazole
CID 138756618
4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 60979315
[2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine
CID 79004482
2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole
CID 58897196
5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine
CID 81136910
1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
CID 59682318
2-(5,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79798993

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
The IUPAC name of 5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole (CID 163973604) is 5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole.
What is the SMILES notation for 5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
The canonical SMILES for 5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole is Cc1cc2[nH]c(C(F)(F)C(F)(F)F)nc2cc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
The InChIKey is SSDWGADKBPBTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2/c1-8-6-12-13(7-11(8)9-2-4-10(17)5-3-9)24-14(23-12)15(18,19)16(20,21)22/h2-7H,1H3,(H,23,24).
What are the key properties of 5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole has a molecular weight of 344.26 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole is sourced from PubChem (CID 163973604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).