N-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide

C18H20FN5O — CID 70731032

IUPACN-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide
SMILESCC(C)n1ccnc1-c1nccn1CCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H20FN5O/c1-13(2)24-11-8-21-18(24)17-20-7-10-23(17)9-6-16(25)22-15-5-3-4-14(19)12-15/h3-5,7-8,10-13H,6,9H2,1-2H3,(H,22,25)
InChIKeyLIPJRCJOZBSJOS-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.50
Rot. Bonds6

About N-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide

N-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide (PubChem CID 70731032) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide
PubChem CID70731032
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC NameN-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide
SMILESCC(C)n1ccnc1-c1nccn1CCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H20FN5O/c1-13(2)24-11-8-21-18(24)17-20-7-10-23(17)9-6-16(25)22-15-5-3-4-14(19)12-15/h3-5,7-8,10-13H,6,9H2,1-2H3,(H,22,25)
InChIKeyLIPJRCJOZBSJOS-UHFFFAOYSA-N
XLogP3.50
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide (CID 70731032) is N-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide is CC(C)n1ccnc1-c1nccn1CCC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide?
The InChIKey is LIPJRCJOZBSJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-13(2)24-11-8-21-18(24)17-20-7-10-23(17)9-6-16(25)22-15-5-3-4-14(19)12-15/h3-5,7-8,10-13H,6,9H2,1-2H3,(H,22,25).
What are the key properties of N-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide?
N-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide has a molecular weight of 341.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide is sourced from PubChem (CID 70731032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).