6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole

C16H10ClF5N2 — CID 123142379

IUPAC6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
SMILESCc1ccc(-c2cc3nc(C(F)(F)C(F)(F)F)[nH]c3cc2Cl)cc1
InChIInChI=1S/C16H10ClF5N2/c1-8-2-4-9(5-3-8)10-6-12-13(7-11(10)17)24-14(23-12)15(18,19)16(20,21)22/h2-7H,1H3,(H,23,24)
InChIKeyYWLVCEDCMHJSPH-UHFFFAOYSA-N
MW360.71 g/mol
LogP5.85
Rot. Bonds2

About 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole

6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole (PubChem CID 123142379) has the molecular formula C16H10ClF5N2 and a molecular weight of 360.71 g/mol. Its IUPAC name is 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
PubChem CID123142379
Molecular FormulaC16H10ClF5N2
Molecular Weight360.71 g/mol
Exact Mass360.05
IUPAC Name6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
SMILESCc1ccc(-c2cc3nc(C(F)(F)C(F)(F)F)[nH]c3cc2Cl)cc1
InChIInChI=1S/C16H10ClF5N2/c1-8-2-4-9(5-3-8)10-6-12-13(7-11(10)17)24-14(23-12)15(18,19)16(20,21)22/h2-7H,1H3,(H,23,24)
InChIKeyYWLVCEDCMHJSPH-UHFFFAOYSA-N
XLogP5.85
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.71
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-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

5-(4-fluorophenyl)-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 163973604
5-[2,4-bis(trifluoromethyl)phenyl]-6-chloro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 86699574
5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 79631784
6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-3H-indole
CID 158149969
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-benzo[f]benzimidazole
CID 138756618
(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluorobutan-2-ol
CID 157177696
[2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine
CID 79004482
5,6-dichloro-2-(2-fluoro-5-methylphenyl)-1H-benzimidazole
CID 82003782
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
2-(5,6-dichloro-1H-benzimidazol-2-yl)propane-1,2-diol
CID 11557972
6-chloro-5-(2-chloro-4-methylphenyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-indole
CID 118593011

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole (CID 123142379) is 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole is Cc1ccc(-c2cc3nc(C(F)(F)C(F)(F)F)[nH]c3cc2Cl)cc1.
What is the InChIKey of 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
The InChIKey is YWLVCEDCMHJSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF5N2/c1-8-2-4-9(5-3-8)10-6-12-13(7-11(10)17)24-14(23-12)15(18,19)16(20,21)22/h2-7H,1H3,(H,23,24).
What are the key properties of 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole has a molecular weight of 360.71 g/mol, XLogP of 5.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4-methylphenyl)-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole is sourced from PubChem (CID 123142379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).