2-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]propan-2-ol

C24H25N5O2 — CID 67152305

IUPAC2-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)ncn2-c1cccc(-c2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C24H25N5O2/c1-24(2,30)19-6-7-22-21(13-19)27-16-29(22)20-5-3-4-17(12-20)18-14-25-23(26-15-18)28-8-10-31-11-9-28/h3-7,12-16,30H,8-11H2,1-2H3
InChIKeyPBJCUHKDSCLFTG-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.55
Rot. Bonds4

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

2-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]propan-2-ol (PubChem CID 67152305) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]propan-2-ol
PubChem CID67152305
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)ncn2-c1cccc(-c2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C24H25N5O2/c1-24(2,30)19-6-7-22-21(13-19)27-16-29(22)20-5-3-4-17(12-20)18-14-25-23(26-15-18)28-8-10-31-11-9-28/h3-7,12-16,30H,8-11H2,1-2H3
InChIKeyPBJCUHKDSCLFTG-UHFFFAOYSA-N
XLogP3.55
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]propan-2-ol?
The IUPAC name of 2-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]propan-2-ol (CID 67152305) is 2-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]propan-2-ol is CC(C)(O)c1ccc2c(c1)ncn2-c1cccc(-c2cnc(N3CCOCC3)nc2)c1.
What is the InChIKey of 2-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]propan-2-ol?
The InChIKey is PBJCUHKDSCLFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-24(2,30)19-6-7-22-21(13-19)27-16-29(22)20-5-3-4-17(12-20)18-14-25-23(26-15-18)28-8-10-31-11-9-28/h3-7,12-16,30H,8-11H2,1-2H3.
What are the key properties of 2-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]propan-2-ol?
2-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]propan-2-ol has a molecular weight of 415.50 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]propan-2-ol is sourced from PubChem (CID 67152305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).