1-[5-[2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide

C26H26FN3O3S — CID 22391757

IUPAC1-[5-[2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCc2ccccc2OCc2ccc(-c3ccc(F)cc3)s2)cn1
InChIInChI=1S/C26H26FN3O3S/c27-20-10-8-19(9-11-20)25-13-12-22(34-25)16-33-24-7-2-1-4-18(24)5-3-6-21(31)14-30-15-23(26(28)32)29-17-30/h1-2,4,7-13,15,17,21,31H,3,5-6,14,16H2,(H2,28,32)
InChIKeySEOPWAMOYNFCDF-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.81
Rot. Bonds11

About 1-[5-[2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide

1-[5-[2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide (PubChem CID 22391757) has the molecular formula C26H26FN3O3S and a molecular weight of 479.58 g/mol. Its IUPAC name is 1-[5-[2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-[2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide
PubChem CID22391757
Molecular FormulaC26H26FN3O3S
Molecular Weight479.58 g/mol
Exact Mass479.17
IUPAC Name1-[5-[2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCc2ccccc2OCc2ccc(-c3ccc(F)cc3)s2)cn1
InChIInChI=1S/C26H26FN3O3S/c27-20-10-8-19(9-11-20)25-13-12-22(34-25)16-33-24-7-2-1-4-18(24)5-3-6-21(31)14-30-15-23(26(28)32)29-17-30/h1-2,4,7-13,15,17,21,31H,3,5-6,14,16H2,(H2,28,32)
InChIKeySEOPWAMOYNFCDF-UHFFFAOYSA-N
XLogP4.81
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide?
The IUPAC name of 1-[5-[2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide (CID 22391757) is 1-[5-[2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[5-[2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[5-[2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide is NC(=O)c1cn(CC(O)CCCc2ccccc2OCc2ccc(-c3ccc(F)cc3)s2)cn1.
What is the InChIKey of 1-[5-[2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide?
The InChIKey is SEOPWAMOYNFCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3S/c27-20-10-8-19(9-11-20)25-13-12-22(34-25)16-33-24-7-2-1-4-18(24)5-3-6-21(31)14-30-15-23(26(28)32)29-17-30/h1-2,4,7-13,15,17,21,31H,3,5-6,14,16H2,(H2,28,32).
What are the key properties of 1-[5-[2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide?
1-[5-[2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 4.81, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide is sourced from PubChem (CID 22391757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).