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

C23H23N5O2 — CID 67152175

IUPAC(1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol
SMILESC[C@@H](O)c1ccc2c(c1)ncn2-c1cccc(-c2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C23H23N5O2/c1-16(29)17-5-6-22-21(12-17)26-15-28(22)20-4-2-3-18(11-20)19-13-24-23(25-14-19)27-7-9-30-10-8-27/h2-6,11-16,29H,7-10H2,1H3/t16-/m1/s1
InChIKeyPKLHUYICFFLWSN-MRXNPFEDSA-N
MW401.47 g/mol
LogP3.37
Rot. Bonds4

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

(1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol (PubChem CID 67152175) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is (1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol
PubChem CID67152175
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name(1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol
SMILESC[C@@H](O)c1ccc2c(c1)ncn2-c1cccc(-c2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C23H23N5O2/c1-16(29)17-5-6-22-21(12-17)26-15-28(22)20-4-2-3-18(11-20)19-13-24-23(25-14-19)27-7-9-30-10-8-27/h2-6,11-16,29H,7-10H2,1H3/t16-/m1/s1
InChIKeyPKLHUYICFFLWSN-MRXNPFEDSA-N
XLogP3.37
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol?
The IUPAC name of (1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol (CID 67152175) is (1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol is C[C@@H](O)c1ccc2c(c1)ncn2-c1cccc(-c2cnc(N3CCOCC3)nc2)c1.
What is the InChIKey of (1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol?
The InChIKey is PKLHUYICFFLWSN-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16(29)17-5-6-22-21(12-17)26-15-28(22)20-4-2-3-18(11-20)19-13-24-23(25-14-19)27-7-9-30-10-8-27/h2-6,11-16,29H,7-10H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol?
(1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol has a molecular weight of 401.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol is sourced from PubChem (CID 67152175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).