[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol

C28H30FN3O2 — CID 155077592

IUPAC[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol
SMILESCCc1cccc(NC(O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)c1
InChIInChI=1S/C28H30FN3O2/c1-2-19-7-6-8-22(17-19)31-28(33)25-16-15-24(34-25)27-26(20-11-13-21(29)14-12-20)30-18-32(27)23-9-4-3-5-10-23/h6-8,11-18,23,28,31,33H,2-5,9-10H2,1H3
InChIKeyGOSFPGWCRHVFGZ-UHFFFAOYSA-N
MW459.57 g/mol
LogP7.12
Rot. Bonds7

About [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol

[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol (PubChem CID 155077592) has the molecular formula C28H30FN3O2 and a molecular weight of 459.57 g/mol. Its IUPAC name is [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol.

Molecular Properties

Compound Name[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol
PubChem CID155077592
Molecular FormulaC28H30FN3O2
Molecular Weight459.57 g/mol
Exact Mass459.23
IUPAC Name[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol
SMILESCCc1cccc(NC(O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)c1
InChIInChI=1S/C28H30FN3O2/c1-2-19-7-6-8-22(17-19)31-28(33)25-16-15-24(34-25)27-26(20-11-13-21(29)14-12-20)30-18-32(27)23-9-4-3-5-10-23/h6-8,11-18,23,28,31,33H,2-5,9-10H2,1H3
InChIKeyGOSFPGWCRHVFGZ-UHFFFAOYSA-N
XLogP7.12
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol?
The IUPAC name of [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol (CID 155077592) is [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol.
What is the SMILES notation for [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol?
The canonical SMILES for [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol is CCc1cccc(NC(O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)c1.
What is the InChIKey of [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol?
The InChIKey is GOSFPGWCRHVFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O2/c1-2-19-7-6-8-22(17-19)31-28(33)25-16-15-24(34-25)27-26(20-11-13-21(29)14-12-20)30-18-32(27)23-9-4-3-5-10-23/h6-8,11-18,23,28,31,33H,2-5,9-10H2,1H3.
What are the key properties of [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol?
[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol has a molecular weight of 459.57 g/mol, XLogP of 7.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-(3-ethylanilino)methanol is sourced from PubChem (CID 155077592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).