1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole

C33H32N2O2 — CID 150379591

IUPAC1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole
SMILESc1ccc(CCOc2ccccc2Oc2ccc(-c3nc4ccccc4n3C3CCCCC3)cc2)cc1
InChIInChI=1S/C33H32N2O2/c1-3-11-25(12-4-1)23-24-36-31-17-9-10-18-32(31)37-28-21-19-26(20-22-28)33-34-29-15-7-8-16-30(29)35(33)27-13-5-2-6-14-27/h1,3-4,7-12,15-22,27H,2,5-6,13-14,23-24H2
InChIKeyGZKXWOJSWLMYDW-UHFFFAOYSA-N
MW488.63 g/mol
LogP8.62
Rot. Bonds8

About 1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole

1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole (PubChem CID 150379591) has the molecular formula C33H32N2O2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole.

Molecular Properties

Compound Name1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole
PubChem CID150379591
Molecular FormulaC33H32N2O2
Molecular Weight488.63 g/mol
Exact Mass488.25
IUPAC Name1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole
SMILESc1ccc(CCOc2ccccc2Oc2ccc(-c3nc4ccccc4n3C3CCCCC3)cc2)cc1
InChIInChI=1S/C33H32N2O2/c1-3-11-25(12-4-1)23-24-36-31-17-9-10-18-32(31)37-28-21-19-26(20-22-28)33-34-29-15-7-8-16-30(29)35(33)27-13-5-2-6-14-27/h1,3-4,7-12,15-22,27H,2,5-6,13-14,23-24H2
InChIKeyGZKXWOJSWLMYDW-UHFFFAOYSA-N
XLogP8.62
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole?
The IUPAC name of 1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole (CID 150379591) is 1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole.
What is the SMILES notation for 1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole?
The canonical SMILES for 1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole is c1ccc(CCOc2ccccc2Oc2ccc(-c3nc4ccccc4n3C3CCCCC3)cc2)cc1.
What is the InChIKey of 1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole?
The InChIKey is GZKXWOJSWLMYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O2/c1-3-11-25(12-4-1)23-24-36-31-17-9-10-18-32(31)37-28-21-19-26(20-22-28)33-34-29-15-7-8-16-30(29)35(33)27-13-5-2-6-14-27/h1,3-4,7-12,15-22,27H,2,5-6,13-14,23-24H2.
What are the key properties of 1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole?
1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole has a molecular weight of 488.63 g/mol, XLogP of 8.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole is sourced from PubChem (CID 150379591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).