4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole

C14H13F5N2 — CID 104622397

IUPAC4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole
SMILESFc1cc(F)c2nc(C3CCCCC3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C14H13F5N2/c15-7-5-10(16)12-11(6-7)20-13(21-12)8-3-1-2-4-9(8)14(17,18)19/h5-6,8-9H,1-4H2,(H,20,21)
InChIKeyHSDDEPPGGPWDKK-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.68
Rot. Bonds1

About 4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole

4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole (PubChem CID 104622397) has the molecular formula C14H13F5N2 and a molecular weight of 304.26 g/mol. Its IUPAC name is 4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole.

Molecular Properties

Compound Name4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole
PubChem CID104622397
Molecular FormulaC14H13F5N2
Molecular Weight304.26 g/mol
Exact Mass304.10
IUPAC Name4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole
SMILESFc1cc(F)c2nc(C3CCCCC3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C14H13F5N2/c15-7-5-10(16)12-11(6-7)20-13(21-12)8-3-1-2-4-9(8)14(17,18)19/h5-6,8-9H,1-4H2,(H,20,21)
InChIKeyHSDDEPPGGPWDKK-UHFFFAOYSA-N
XLogP4.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine
CID 104622206
2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole
CID 81462663
4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole
CID 94919995
4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole
CID 81455031
2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine
CID 104622377
5-methoxy-2-[2-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine
CID 104622389
5,6-dimethyl-2-[2-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 104623005
4,6-difluoro-2-iodo-1H-benzimidazole
CID 143699120
(1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine
CID 90261891
3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole
CID 104622352
4-(4,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81448504
4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole
CID 81462840

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole?
The IUPAC name of 4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole (CID 104622397) is 4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole.
What is the SMILES notation for 4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole?
The canonical SMILES for 4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole is Fc1cc(F)c2nc(C3CCCCC3C(F)(F)F)[nH]c2c1.
What is the InChIKey of 4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole?
The InChIKey is HSDDEPPGGPWDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F5N2/c15-7-5-10(16)12-11(6-7)20-13(21-12)8-3-1-2-4-9(8)14(17,18)19/h5-6,8-9H,1-4H2,(H,20,21).
What are the key properties of 4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole?
4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole has a molecular weight of 304.26 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole is sourced from PubChem (CID 104622397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).