3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol

C25H23FN2O — CID 70579525

IUPAC3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol
SMILESOCCCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23FN2O/c26-24-27-22(17-10-18-29)23(28-24)25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,29H,10,17-18H2,(H,27,28)
InChIKeyLAIPOFHBTASJJW-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.86
Rot. Bonds7

About 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol

3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol (PubChem CID 70579525) has the molecular formula C25H23FN2O and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol
PubChem CID70579525
Molecular FormulaC25H23FN2O
Molecular Weight386.47 g/mol
Exact Mass386.18
IUPAC Name3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol
SMILESOCCCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23FN2O/c26-24-27-22(17-10-18-29)23(28-24)25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,29H,10,17-18H2,(H,27,28)
InChIKeyLAIPOFHBTASJJW-UHFFFAOYSA-N
XLogP4.86
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

CID 70525868
CID 70525868
CID 70552582
CID 70552582
CID 70552764
CID 70552764
CID 70553003
CID 70553003
CID 70553142
CID 70553142
CID 70553354
CID 70553354
CID 70553400
CID 70553400
CID 70553410
CID 70553410
CID 70553582
CID 70553582
CID 70553639
CID 70553639
CID 70553975
CID 70553975
CID 70554093
CID 70554093

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol?
The IUPAC name of 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol (CID 70579525) is 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol is OCCCc1[nH]c(F)nc1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol?
The InChIKey is LAIPOFHBTASJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O/c26-24-27-22(17-10-18-29)23(28-24)25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,29H,10,17-18H2,(H,27,28).
What are the key properties of 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol?
3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol has a molecular weight of 386.47 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-trityl-1H-imidazol-5-yl)propan-1-ol is sourced from PubChem (CID 70579525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).