4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]oxyquinoline

C25H26ClN3O — CID 134285055

IUPAC4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]oxyquinoline
SMILESCCC(c1nc2ccc(Cl)cc2[nH]1)C1CCC(Oc2ccnc3ccccc23)CC1
InChIInChI=1S/C25H26ClN3O/c1-2-19(25-28-22-12-9-17(26)15-23(22)29-25)16-7-10-18(11-8-16)30-24-13-14-27-21-6-4-3-5-20(21)24/h3-6,9,12-16,18-19H,2,7-8,10-11H2,1H3,(H,28,29)
InChIKeyJCOMZGDVMZZLPW-UHFFFAOYSA-N
MW419.96 g/mol
LogP6.90
Rot. Bonds5

About 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]oxyquinoline

4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]oxyquinoline (PubChem CID 134285055) has the molecular formula C25H26ClN3O and a molecular weight of 419.96 g/mol. Its IUPAC name is 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]oxyquinoline.

Molecular Properties

Compound Name4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]oxyquinoline
PubChem CID134285055
Molecular FormulaC25H26ClN3O
Molecular Weight419.96 g/mol
Exact Mass419.18
IUPAC Name4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]oxyquinoline
SMILESCCC(c1nc2ccc(Cl)cc2[nH]1)C1CCC(Oc2ccnc3ccccc23)CC1
InChIInChI=1S/C25H26ClN3O/c1-2-19(25-28-22-12-9-17(26)15-23(22)29-25)16-7-10-18(11-8-16)30-24-13-14-27-21-6-4-3-5-20(21)24/h3-6,9,12-16,18-19H,2,7-8,10-11H2,1H3,(H,28,29)
InChIKeyJCOMZGDVMZZLPW-UHFFFAOYSA-N
XLogP6.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.96
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]oxyquinoline?
The IUPAC name of 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]oxyquinoline (CID 134285055) is 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]oxyquinoline.
What is the SMILES notation for 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]oxyquinoline?
The canonical SMILES for 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]oxyquinoline is CCC(c1nc2ccc(Cl)cc2[nH]1)C1CCC(Oc2ccnc3ccccc23)CC1.
What is the InChIKey of 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]oxyquinoline?
The InChIKey is JCOMZGDVMZZLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O/c1-2-19(25-28-22-12-9-17(26)15-23(22)29-25)16-7-10-18(11-8-16)30-24-13-14-27-21-6-4-3-5-20(21)24/h3-6,9,12-16,18-19H,2,7-8,10-11H2,1H3,(H,28,29).
What are the key properties of 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]oxyquinoline?
4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]oxyquinoline has a molecular weight of 419.96 g/mol, XLogP of 6.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]oxyquinoline is sourced from PubChem (CID 134285055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).