6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole

C14H14BrF3N2O — CID 126572581

IUPAC6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole
SMILESFC(F)(F)OCCn1c(C2CCC2)nc2ccc(Br)cc21
InChIInChI=1S/C14H14BrF3N2O/c15-10-4-5-11-12(8-10)20(6-7-21-14(16,17)18)13(19-11)9-2-1-3-9/h4-5,8-9H,1-3,6-7H2
InChIKeyYLWYSKWYINKURT-UHFFFAOYSA-N
MW363.18 g/mol
LogP4.60
Rot. Bonds4

About 6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole

6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole (PubChem CID 126572581) has the molecular formula C14H14BrF3N2O and a molecular weight of 363.18 g/mol. Its IUPAC name is 6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole
PubChem CID126572581
Molecular FormulaC14H14BrF3N2O
Molecular Weight363.18 g/mol
Exact Mass362.02
IUPAC Name6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole
SMILESFC(F)(F)OCCn1c(C2CCC2)nc2ccc(Br)cc21
InChIInChI=1S/C14H14BrF3N2O/c15-10-4-5-11-12(8-10)20(6-7-21-14(16,17)18)13(19-11)9-2-1-3-9/h4-5,8-9H,1-3,6-7H2
InChIKeyYLWYSKWYINKURT-UHFFFAOYSA-N
XLogP4.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)ethyl]benzimidazole;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 159329509
6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxyethyl)benzimidazole
CID 126582755
6-bromo-2-cyclopropyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole;tert-butyl N-[5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2-oxo-3-pyridinyl]-N-methylcarbamate
CID 158713016
3-cyclopropyl-5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1-methyl-2H-pyridin-2-ol
CID 166736365
2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine
CID 84815301
5-[2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol
CID 166736356
1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 126582741
6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole
CID 46309125
1,3-dimethyl-5-[2-(oxolan-3-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 126582821
6-bromo-2-(4,4-difluorocyclohexyl)-1-(2-methoxypropyl)benzimidazole
CID 126572494
6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 114584793
tert-butyl 10-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-[2-(trifluoromethoxy)ethyl]benzimidazol-2-yl]piperidin-1-yl]decanoate
CID 176893476

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole?
The IUPAC name of 6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole (CID 126572581) is 6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole.
What is the SMILES notation for 6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole?
The canonical SMILES for 6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole is FC(F)(F)OCCn1c(C2CCC2)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole?
The InChIKey is YLWYSKWYINKURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF3N2O/c15-10-4-5-11-12(8-10)20(6-7-21-14(16,17)18)13(19-11)9-2-1-3-9/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole?
6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole has a molecular weight of 363.18 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole is sourced from PubChem (CID 126572581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).