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

C21H17ClF2N6O — CID 153161398

IUPAC2-amino-5-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
SMILESCc1ncc(-c2cc(Cl)cc(C3(c4cncc(C(F)F)c4)N=C(N)N(C)C3=O)c2)cn1
InChIInChI=1S/C21H17ClF2N6O/c1-11-27-8-14(9-28-11)12-3-15(6-17(22)5-12)21(19(31)30(2)20(25)29-21)16-4-13(18(23)24)7-26-10-16/h3-10,18H,1-2H3,(H2,25,29)
InChIKeyWCKVCKUSXVDROV-UHFFFAOYSA-N
MW442.86 g/mol
LogP3.47
Rot. Bonds4

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

2-amino-5-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one (PubChem CID 153161398) has the molecular formula C21H17ClF2N6O and a molecular weight of 442.86 g/mol. Its IUPAC name is 2-amino-5-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
PubChem CID153161398
Molecular FormulaC21H17ClF2N6O
Molecular Weight442.86 g/mol
Exact Mass442.11
IUPAC Name2-amino-5-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
SMILESCc1ncc(-c2cc(Cl)cc(C3(c4cncc(C(F)F)c4)N=C(N)N(C)C3=O)c2)cn1
InChIInChI=1S/C21H17ClF2N6O/c1-11-27-8-14(9-28-11)12-3-15(6-17(22)5-12)21(19(31)30(2)20(25)29-21)16-4-13(18(23)24)7-26-10-16/h3-10,18H,1-2H3,(H2,25,29)
InChIKeyWCKVCKUSXVDROV-UHFFFAOYSA-N
XLogP3.47
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.86
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one (CID 153161398) is 2-amino-5-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one is Cc1ncc(-c2cc(Cl)cc(C3(c4cncc(C(F)F)c4)N=C(N)N(C)C3=O)c2)cn1.
What is the InChIKey of 2-amino-5-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one?
The InChIKey is WCKVCKUSXVDROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N6O/c1-11-27-8-14(9-28-11)12-3-15(6-17(22)5-12)21(19(31)30(2)20(25)29-21)16-4-13(18(23)24)7-26-10-16/h3-10,18H,1-2H3,(H2,25,29).
What are the key properties of 2-amino-5-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one?
2-amino-5-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one has a molecular weight of 442.86 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-chloro-5-(2-methylpyrimidin-5-yl)phenyl]-5-[5-(difluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one is sourced from PubChem (CID 153161398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).