2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole

C20H21FN2O2 — CID 154946896

IUPAC2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole
SMILESCn1c(OC2CCCCC2)nc2ccc(Oc3ccc(F)cc3)cc21
InChIInChI=1S/C20H21FN2O2/c1-23-19-13-17(24-16-9-7-14(21)8-10-16)11-12-18(19)22-20(23)25-15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3
InChIKeyPVKBAQKBXHMFDC-UHFFFAOYSA-N
MW340.40 g/mol
LogP5.22
Rot. Bonds4

About 2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole

2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole (PubChem CID 154946896) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole.

Molecular Properties

Compound Name2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole
PubChem CID154946896
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole
SMILESCn1c(OC2CCCCC2)nc2ccc(Oc3ccc(F)cc3)cc21
InChIInChI=1S/C20H21FN2O2/c1-23-19-13-17(24-16-9-7-14(21)8-10-16)11-12-18(19)22-20(23)25-15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3
InChIKeyPVKBAQKBXHMFDC-UHFFFAOYSA-N
XLogP5.22
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.40
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyloxy-6-ethoxy-7-fluoro-1-methylbenzimidazole
CID 154947071
2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole
CID 154946893
(4R)-5-[4-[6-(2,2-difluoroethoxy)-1-methylbenzimidazol-2-yl]oxycyclohexyl]oxy-4-methylpentan-2-one
CID 158345332
2-cyclohexyloxy-6-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylimidazo[4,5-c]pyridine
CID 144830280
[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol
CID 68661900
1-(2-cyclohexylethyl)-4-(4-fluorophenoxy)piperidine
CID 174665920
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole
CID 102892594
1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
4-cyclohexyloxy-2-(4-fluoroanilino)benzaldehyde
CID 89195233
2-cyclohexyloxy-7-methoxyquinazoline
CID 154198107
1-methyl-5-piperidin-4-yloxybenzimidazole
CID 84694843
1-cyclopropyl-N-(5-ethyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-(4-fluorophenoxy)benzimidazol-2-amine
CID 167428692

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole?
The IUPAC name of 2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole (CID 154946896) is 2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole.
What is the SMILES notation for 2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole?
The canonical SMILES for 2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole is Cn1c(OC2CCCCC2)nc2ccc(Oc3ccc(F)cc3)cc21.
What is the InChIKey of 2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole?
The InChIKey is PVKBAQKBXHMFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-23-19-13-17(24-16-9-7-14(21)8-10-16)11-12-18(19)22-20(23)25-15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3.
What are the key properties of 2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole?
2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole has a molecular weight of 340.40 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole is sourced from PubChem (CID 154946896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).