(1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol

C20H23N3O3 — CID 95129628

IUPAC(1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol
SMILESOCc1nc2ccccc2n1-c1ccc([C@@H](O)CN2CCOCC2)cc1
InChIInChI=1S/C20H23N3O3/c24-14-20-21-17-3-1-2-4-18(17)23(20)16-7-5-15(6-8-16)19(25)13-22-9-11-26-12-10-22/h1-8,19,24-25H,9-14H2/t19-/m0/s1
InChIKeyFRGURKCHOLOEOH-IBGZPJMESA-N
MW353.42 g/mol
LogP1.88
Rot. Bonds5

About (1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol

(1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol (PubChem CID 95129628) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol.

Molecular Properties

Compound Name(1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol
PubChem CID95129628
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol
SMILESOCc1nc2ccccc2n1-c1ccc([C@@H](O)CN2CCOCC2)cc1
InChIInChI=1S/C20H23N3O3/c24-14-20-21-17-3-1-2-4-18(17)23(20)16-7-5-15(6-8-16)19(25)13-22-9-11-26-12-10-22/h1-8,19,24-25H,9-14H2/t19-/m0/s1
InChIKeyFRGURKCHOLOEOH-IBGZPJMESA-N
XLogP1.88
TPSA70.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol?
The IUPAC name of (1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol (CID 95129628) is (1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol.
What is the SMILES notation for (1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol?
The canonical SMILES for (1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol is OCc1nc2ccccc2n1-c1ccc([C@@H](O)CN2CCOCC2)cc1.
What is the InChIKey of (1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol?
The InChIKey is FRGURKCHOLOEOH-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N3O3/c24-14-20-21-17-3-1-2-4-18(17)23(20)16-7-5-15(6-8-16)19(25)13-22-9-11-26-12-10-22/h1-8,19,24-25H,9-14H2/t19-/m0/s1.
What are the key properties of (1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol?
(1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol has a molecular weight of 353.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol is sourced from PubChem (CID 95129628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).