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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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).