4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole

C16H20Cl2N2O2 — CID 154946956

IUPAC4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole
SMILESCCOc1cc(Cl)c2nc(OC3CCCCC3)n(C)c2c1Cl
InChIInChI=1S/C16H20Cl2N2O2/c1-3-21-12-9-11(17)14-15(13(12)18)20(2)16(19-14)22-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyILSNUIWWEDHJRA-UHFFFAOYSA-N
MW343.25 g/mol
LogP4.99
Rot. Bonds4

About 4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole

4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole (PubChem CID 154946956) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole.

Molecular Properties

Compound Name4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole
PubChem CID154946956
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole
SMILESCCOc1cc(Cl)c2nc(OC3CCCCC3)n(C)c2c1Cl
InChIInChI=1S/C16H20Cl2N2O2/c1-3-21-12-9-11(17)14-15(13(12)18)20(2)16(19-14)22-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyILSNUIWWEDHJRA-UHFFFAOYSA-N
XLogP4.99
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole?
The IUPAC name of 4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole (CID 154946956) is 4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole.
What is the SMILES notation for 4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole?
The canonical SMILES for 4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole is CCOc1cc(Cl)c2nc(OC3CCCCC3)n(C)c2c1Cl.
What is the InChIKey of 4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole?
The InChIKey is ILSNUIWWEDHJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-3-21-12-9-11(17)14-15(13(12)18)20(2)16(19-14)22-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole?
4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole has a molecular weight of 343.25 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-cyclohexyloxy-6-ethoxy-1-methylbenzimidazole is sourced from PubChem (CID 154946956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).