2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one

C20H16F2N4O2 — CID 146623019

IUPAC2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccc(C(F)F)nc2)(c2cccc(-c3ccoc3)c2)N=C1N
InChIInChI=1S/C20H16F2N4O2/c1-26-18(27)20(25-19(26)23,15-5-6-16(17(21)22)24-10-15)14-4-2-3-12(9-14)13-7-8-28-11-13/h2-11,17H,1H3,(H2,23,25)
InChIKeyLUUGHGPHEUJUHV-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.31
Rot. Bonds4

About 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one

2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one (PubChem CID 146623019) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one
PubChem CID146623019
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccc(C(F)F)nc2)(c2cccc(-c3ccoc3)c2)N=C1N
InChIInChI=1S/C20H16F2N4O2/c1-26-18(27)20(25-19(26)23,15-5-6-16(17(21)22)24-10-15)14-4-2-3-12(9-14)13-7-8-28-11-13/h2-11,17H,1H3,(H2,23,25)
InChIKeyLUUGHGPHEUJUHV-UHFFFAOYSA-N
XLogP3.31
TPSA84.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[2-amino-4-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]benzonitrile
CID 146623015
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 146622949
2-amino-5-(6-ethyl-3-pyridinyl)-3-methyl-5-[3-(1,2-oxazol-3-yl)phenyl]imidazol-4-one
CID 146625373
2-amino-5-[5-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 137394349
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(2,5-difluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 52944484
2-amino-5-(4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 141128111
3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile
CID 153495964
2-amino-3-methyl-5-[3-(1-methylimidazol-4-yl)phenyl]-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazol-4-one
CID 25119326
2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 146625308
2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 11654224
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyrimidin-2-ylimidazol-4-one
CID 59388662
3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide
CID 25063752

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one (CID 146623019) is 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one is CN1C(=O)C(c2ccc(C(F)F)nc2)(c2cccc(-c3ccoc3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one?
The InChIKey is LUUGHGPHEUJUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-26-18(27)20(25-19(26)23,15-5-6-16(17(21)22)24-10-15)14-4-2-3-12(9-14)13-7-8-28-11-13/h2-11,17H,1H3,(H2,23,25).
What are the key properties of 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one?
2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one has a molecular weight of 382.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-5-[3-(furan-3-yl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 146623019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).