(1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol

C26H27N3O2 — CID 67152234

IUPAC(1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol
SMILESC[C@@H](O)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2CN2CCOCC2)c1
InChIInChI=1S/C26H27N3O2/c1-19(30)20-9-10-26-25(16-20)27-18-29(26)23-7-4-6-21(15-23)24-8-3-2-5-22(24)17-28-11-13-31-14-12-28/h2-10,15-16,18-19,30H,11-14,17H2,1H3/t19-/m1/s1
InChIKeyLFDSUBZCQOTKHT-LJQANCHMSA-N
MW413.52 g/mol
LogP4.58
Rot. Bonds5

About (1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol

(1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol (PubChem CID 67152234) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is (1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol
PubChem CID67152234
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name(1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol
SMILESC[C@@H](O)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2CN2CCOCC2)c1
InChIInChI=1S/C26H27N3O2/c1-19(30)20-9-10-26-25(16-20)27-18-29(26)23-7-4-6-21(15-23)24-8-3-2-5-22(24)17-28-11-13-31-14-12-28/h2-10,15-16,18-19,30H,11-14,17H2,1H3/t19-/m1/s1
InChIKeyLFDSUBZCQOTKHT-LJQANCHMSA-N
XLogP4.58
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol?
The IUPAC name of (1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol (CID 67152234) is (1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol is C[C@@H](O)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2CN2CCOCC2)c1.
What is the InChIKey of (1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol?
The InChIKey is LFDSUBZCQOTKHT-LJQANCHMSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19(30)20-9-10-26-25(16-20)27-18-29(26)23-7-4-6-21(15-23)24-8-3-2-5-22(24)17-28-11-13-31-14-12-28/h2-10,15-16,18-19,30H,11-14,17H2,1H3/t19-/m1/s1.
What are the key properties of (1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol?
(1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol has a molecular weight of 413.52 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]benzimidazol-5-yl]ethanol is sourced from PubChem (CID 67152234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).