4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole

C10H7F5N2 — CID 60979315

IUPAC4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
SMILESCc1cccc2[nH]c(C(F)(F)C(F)(F)F)nc12
InChIInChI=1S/C10H7F5N2/c1-5-3-2-4-6-7(5)17-8(16-6)9(11,12)10(13,14)15/h2-4H,1H3,(H,16,17)
InChIKeyQQXMLYJPGVRBSA-UHFFFAOYSA-N
MW250.17 g/mol
LogP3.53
Rot. Bonds1

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

4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole (PubChem CID 60979315) has the molecular formula C10H7F5N2 and a molecular weight of 250.17 g/mol. Its IUPAC name is 4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
PubChem CID60979315
Molecular FormulaC10H7F5N2
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Name4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
SMILESCc1cccc2[nH]c(C(F)(F)C(F)(F)F)nc12
InChIInChI=1S/C10H7F5N2/c1-5-3-2-4-6-7(5)17-8(16-6)9(11,12)10(13,14)15/h2-4H,1H3,(H,16,17)
InChIKeyQQXMLYJPGVRBSA-UHFFFAOYSA-N
XLogP3.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 53.53
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

2-(4-methyl-1H-benzimidazol-2-yl)butan-2-amine
CID 79798722
2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine
CID 10105558
5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[4,5-b]pyridine
CID 81136910
(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 83857640
2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile
CID 83857763
4-methyl-1H-benzimidazol-2-amine;trihydrate;trihydrochloride
CID 141030572
4-methyl-2-(2-methylphenyl)-1H-benzimidazole
CID 59018429
2-(chloromethyl)-4-methyl-1H-benzimidazole
CID 12953834
2-(1,1,2,2,2-pentafluoroethyl)-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazole
CID 141061438
N-(2,6-dimethylphenyl)-4-methyl-1H-benzimidazol-2-amine
CID 143959541
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 64722297
2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722292

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
The IUPAC name of 4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole (CID 60979315) is 4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole is Cc1cccc2[nH]c(C(F)(F)C(F)(F)F)nc12.
What is the InChIKey of 4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
The InChIKey is QQXMLYJPGVRBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2/c1-5-3-2-4-6-7(5)17-8(16-6)9(11,12)10(13,14)15/h2-4H,1H3,(H,16,17).
What are the key properties of 4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole?
4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole has a molecular weight of 250.17 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole is sourced from PubChem (CID 60979315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).