1-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol

C23H26FN3O — CID 59161935

IUPAC1-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
SMILESCC(O)(Cc1ncc(CC2CCCC2)[nH]1)c1ccc(-c2ccc(F)cn2)cc1
InChIInChI=1S/C23H26FN3O/c1-23(28,13-22-26-15-20(27-22)12-16-4-2-3-5-16)18-8-6-17(7-9-18)21-11-10-19(24)14-25-21/h6-11,14-16,28H,2-5,12-13H2,1H3,(H,26,27)
InChIKeyKQRDEIDECINERF-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.79
Rot. Bonds6

About 1-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol

1-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol (PubChem CID 59161935) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
PubChem CID59161935
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name1-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
SMILESCC(O)(Cc1ncc(CC2CCCC2)[nH]1)c1ccc(-c2ccc(F)cn2)cc1
InChIInChI=1S/C23H26FN3O/c1-23(28,13-22-26-15-20(27-22)12-16-4-2-3-5-16)18-8-6-17(7-9-18)21-11-10-19(24)14-25-21/h6-11,14-16,28H,2-5,12-13H2,1H3,(H,26,27)
InChIKeyKQRDEIDECINERF-UHFFFAOYSA-N
XLogP4.79
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The IUPAC name of 1-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol (CID 59161935) is 1-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol is CC(O)(Cc1ncc(CC2CCCC2)[nH]1)c1ccc(-c2ccc(F)cn2)cc1.
What is the InChIKey of 1-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The InChIKey is KQRDEIDECINERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-23(28,13-22-26-15-20(27-22)12-16-4-2-3-5-16)18-8-6-17(7-9-18)21-11-10-19(24)14-25-21/h6-11,14-16,28H,2-5,12-13H2,1H3,(H,26,27).
What are the key properties of 1-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
1-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol has a molecular weight of 379.48 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol is sourced from PubChem (CID 59161935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).