1-(2,3-dihydro-1H-inden-5-yloxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol

C23H26FN3O2 — CID 138961326

IUPAC1-(2,3-dihydro-1H-inden-5-yloxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol
SMILESCn1ccnc1C(NCC(O)COc1ccc2c(c1)CCC2)c1cccc(F)c1
InChIInChI=1S/C23H26FN3O2/c1-27-11-10-25-23(27)22(18-6-3-7-19(24)12-18)26-14-20(28)15-29-21-9-8-16-4-2-5-17(16)13-21/h3,6-13,20,22,26,28H,2,4-5,14-15H2,1H3
InChIKeyCNJZNGIMHIVDBU-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.17
Rot. Bonds8

About 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol

1-(2,3-dihydro-1H-inden-5-yloxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol (PubChem CID 138961326) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol
PubChem CID138961326
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol
SMILESCn1ccnc1C(NCC(O)COc1ccc2c(c1)CCC2)c1cccc(F)c1
InChIInChI=1S/C23H26FN3O2/c1-27-11-10-25-23(27)22(18-6-3-7-19(24)12-18)26-14-20(28)15-29-21-9-8-16-4-2-5-17(16)13-21/h3,6-13,20,22,26,28H,2,4-5,14-15H2,1H3
InChIKeyCNJZNGIMHIVDBU-UHFFFAOYSA-N
XLogP3.17
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol (CID 138961326) is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol is Cn1ccnc1C(NCC(O)COc1ccc2c(c1)CCC2)c1cccc(F)c1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol?
The InChIKey is CNJZNGIMHIVDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-27-11-10-25-23(27)22(18-6-3-7-19(24)12-18)26-14-20(28)15-29-21-9-8-16-4-2-5-17(16)13-21/h3,6-13,20,22,26,28H,2,4-5,14-15H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol?
1-(2,3-dihydro-1H-inden-5-yloxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol has a molecular weight of 395.48 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 138961326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).