1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol

C26H26N2O2 — CID 126726363

IUPAC1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C3(O)CCC3)cc21
InChIInChI=1S/C26H26N2O2/c1-2-28-23-18-21(25(29)16-9-17-25)14-15-22(23)27-24(28)26(30,19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-15,18,29-30H,2,9,16-17H2,1H3
InChIKeyWXDSSTVGYVDLEU-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.71
Rot. Bonds5

About 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol

1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol (PubChem CID 126726363) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol
PubChem CID126726363
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C3(O)CCC3)cc21
InChIInChI=1S/C26H26N2O2/c1-2-28-23-18-21(25(29)16-9-17-25)14-15-22(23)27-24(28)26(30,19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-15,18,29-30H,2,9,16-17H2,1H3
InChIKeyWXDSSTVGYVDLEU-UHFFFAOYSA-N
XLogP4.71
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol?
The IUPAC name of 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol (CID 126726363) is 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C3(O)CCC3)cc21.
What is the InChIKey of 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol?
The InChIKey is WXDSSTVGYVDLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-2-28-23-18-21(25(29)16-9-17-25)14-15-22(23)27-24(28)26(30,19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-15,18,29-30H,2,9,16-17H2,1H3.
What are the key properties of 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol?
1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol has a molecular weight of 398.51 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol is sourced from PubChem (CID 126726363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).