N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide

C20H20FN5O2 — CID 56747020

IUPACN-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1
InChIInChI=1S/C20H20FN5O2/c1-12(2)24-20(28)19(27)23-11-16-25-17(13-6-5-7-14(21)10-13)18(26-16)15-8-3-4-9-22-15/h3-10,12H,11H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyZLDIMUOTHPUVGM-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.42
Rot. Bonds5

About N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide

N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide (PubChem CID 56747020) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide
PubChem CID56747020
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC NameN-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1
InChIInChI=1S/C20H20FN5O2/c1-12(2)24-20(28)19(27)23-11-16-25-17(13-6-5-7-14(21)10-13)18(26-16)15-8-3-4-9-22-15/h3-10,12H,11H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyZLDIMUOTHPUVGM-UHFFFAOYSA-N
XLogP2.42
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide (CID 56747020) is N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1.
What is the InChIKey of N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide?
The InChIKey is ZLDIMUOTHPUVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-12(2)24-20(28)19(27)23-11-16-25-17(13-6-5-7-14(21)10-13)18(26-16)15-8-3-4-9-22-15/h3-10,12H,11H2,1-2H3,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide?
N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide has a molecular weight of 381.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 56747020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).