[1-ethyl-6-[2-(methylamino)ethoxy]benzimidazol-2-yl]-diphenylmethanol

C25H27N3O2 — CID 118515925

IUPAC[1-ethyl-6-[2-(methylamino)ethoxy]benzimidazol-2-yl]-diphenylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCCNC)cc21
InChIInChI=1S/C25H27N3O2/c1-3-28-23-18-21(30-17-16-26-2)14-15-22(23)27-24(28)25(29,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,18,26,29H,3,16-17H2,1-2H3
InChIKeyFYVXXRPHNQNBHV-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.94
Rot. Bonds8

About [1-ethyl-6-[2-(methylamino)ethoxy]benzimidazol-2-yl]-diphenylmethanol

[1-ethyl-6-[2-(methylamino)ethoxy]benzimidazol-2-yl]-diphenylmethanol (PubChem CID 118515925) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is [1-ethyl-6-[2-(methylamino)ethoxy]benzimidazol-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-ethyl-6-[2-(methylamino)ethoxy]benzimidazol-2-yl]-diphenylmethanol
PubChem CID118515925
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name[1-ethyl-6-[2-(methylamino)ethoxy]benzimidazol-2-yl]-diphenylmethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCCNC)cc21
InChIInChI=1S/C25H27N3O2/c1-3-28-23-18-21(30-17-16-26-2)14-15-22(23)27-24(28)25(29,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,18,26,29H,3,16-17H2,1-2H3
InChIKeyFYVXXRPHNQNBHV-UHFFFAOYSA-N
XLogP3.94
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-6-[2-(methylamino)ethoxy]benzimidazol-2-yl]-diphenylmethanol?
The IUPAC name of [1-ethyl-6-[2-(methylamino)ethoxy]benzimidazol-2-yl]-diphenylmethanol (CID 118515925) is [1-ethyl-6-[2-(methylamino)ethoxy]benzimidazol-2-yl]-diphenylmethanol.
What is the SMILES notation for [1-ethyl-6-[2-(methylamino)ethoxy]benzimidazol-2-yl]-diphenylmethanol?
The canonical SMILES for [1-ethyl-6-[2-(methylamino)ethoxy]benzimidazol-2-yl]-diphenylmethanol is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCCNC)cc21.
What is the InChIKey of [1-ethyl-6-[2-(methylamino)ethoxy]benzimidazol-2-yl]-diphenylmethanol?
The InChIKey is FYVXXRPHNQNBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-3-28-23-18-21(30-17-16-26-2)14-15-22(23)27-24(28)25(29,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,18,26,29H,3,16-17H2,1-2H3.
What are the key properties of [1-ethyl-6-[2-(methylamino)ethoxy]benzimidazol-2-yl]-diphenylmethanol?
[1-ethyl-6-[2-(methylamino)ethoxy]benzimidazol-2-yl]-diphenylmethanol has a molecular weight of 401.51 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-6-[2-(methylamino)ethoxy]benzimidazol-2-yl]-diphenylmethanol is sourced from PubChem (CID 118515925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).