1-[5-(4-fluoro-2-phenylmethoxyphenyl)-2-hydroxypentyl]imidazole-4-carboxamide

C22H24FN3O3 — CID 22391657

IUPAC1-[5-(4-fluoro-2-phenylmethoxyphenyl)-2-hydroxypentyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCc2ccc(F)cc2OCc2ccccc2)cn1
InChIInChI=1S/C22H24FN3O3/c23-18-10-9-17(21(11-18)29-14-16-5-2-1-3-6-16)7-4-8-19(27)12-26-13-20(22(24)28)25-15-26/h1-3,5-6,9-11,13,15,19,27H,4,7-8,12,14H2,(H2,24,28)
InChIKeyWXYUFUIYGFLVMQ-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.08
Rot. Bonds10

About 1-[5-(4-fluoro-2-phenylmethoxyphenyl)-2-hydroxypentyl]imidazole-4-carboxamide

1-[5-(4-fluoro-2-phenylmethoxyphenyl)-2-hydroxypentyl]imidazole-4-carboxamide (PubChem CID 22391657) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-[5-(4-fluoro-2-phenylmethoxyphenyl)-2-hydroxypentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-fluoro-2-phenylmethoxyphenyl)-2-hydroxypentyl]imidazole-4-carboxamide
PubChem CID22391657
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name1-[5-(4-fluoro-2-phenylmethoxyphenyl)-2-hydroxypentyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCc2ccc(F)cc2OCc2ccccc2)cn1
InChIInChI=1S/C22H24FN3O3/c23-18-10-9-17(21(11-18)29-14-16-5-2-1-3-6-16)7-4-8-19(27)12-26-13-20(22(24)28)25-15-26/h1-3,5-6,9-11,13,15,19,27H,4,7-8,12,14H2,(H2,24,28)
InChIKeyWXYUFUIYGFLVMQ-UHFFFAOYSA-N
XLogP3.08
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluoro-2-phenylmethoxyphenyl)-2-hydroxypentyl]imidazole-4-carboxamide?
The IUPAC name of 1-[5-(4-fluoro-2-phenylmethoxyphenyl)-2-hydroxypentyl]imidazole-4-carboxamide (CID 22391657) is 1-[5-(4-fluoro-2-phenylmethoxyphenyl)-2-hydroxypentyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[5-(4-fluoro-2-phenylmethoxyphenyl)-2-hydroxypentyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[5-(4-fluoro-2-phenylmethoxyphenyl)-2-hydroxypentyl]imidazole-4-carboxamide is NC(=O)c1cn(CC(O)CCCc2ccc(F)cc2OCc2ccccc2)cn1.
What is the InChIKey of 1-[5-(4-fluoro-2-phenylmethoxyphenyl)-2-hydroxypentyl]imidazole-4-carboxamide?
The InChIKey is WXYUFUIYGFLVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c23-18-10-9-17(21(11-18)29-14-16-5-2-1-3-6-16)7-4-8-19(27)12-26-13-20(22(24)28)25-15-26/h1-3,5-6,9-11,13,15,19,27H,4,7-8,12,14H2,(H2,24,28).
What are the key properties of 1-[5-(4-fluoro-2-phenylmethoxyphenyl)-2-hydroxypentyl]imidazole-4-carboxamide?
1-[5-(4-fluoro-2-phenylmethoxyphenyl)-2-hydroxypentyl]imidazole-4-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluoro-2-phenylmethoxyphenyl)-2-hydroxypentyl]imidazole-4-carboxamide is sourced from PubChem (CID 22391657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).