1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol

C11H11F3N2O — CID 59682318

IUPAC1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
SMILESCc1cc2nc(C(O)C(F)(F)F)[nH]c2cc1C
InChIInChI=1S/C11H11F3N2O/c1-5-3-7-8(4-6(5)2)16-10(15-7)9(17)11(12,13)14/h3-4,9,17H,1-2H3,(H,15,16)
InChIKeyFBZJRPMNDDWYKB-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.78
Rot. Bonds1

About 1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol

1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol (PubChem CID 59682318) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
PubChem CID59682318
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
SMILESCc1cc2nc(C(O)C(F)(F)F)[nH]c2cc1C
InChIInChI=1S/C11H11F3N2O/c1-5-3-7-8(4-6(5)2)16-10(15-7)9(17)11(12,13)14/h3-4,9,17H,1-2H3,(H,15,16)
InChIKeyFBZJRPMNDDWYKB-UHFFFAOYSA-N
XLogP2.78
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol
CID 66166899
5,6-dimethyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 82336560
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79798998
methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate
CID 115926140
2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine
CID 112735043
4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol
CID 79200644
5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole
CID 62677101
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
(1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol
CID 66264286
3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one
CID 18526145
(5-chloro-6-methyl-1H-benzimidazol-2-yl)-phenylmethanol
CID 137483151
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 79258066

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol (CID 59682318) is 1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol is Cc1cc2nc(C(O)C(F)(F)F)[nH]c2cc1C.
What is the InChIKey of 1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol?
The InChIKey is FBZJRPMNDDWYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-5-3-7-8(4-6(5)2)16-10(15-7)9(17)11(12,13)14/h3-4,9,17H,1-2H3,(H,15,16).
What are the key properties of 1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol?
1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol has a molecular weight of 244.22 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 59682318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).