2-amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one

C17H17FN4O — CID 143700897

IUPAC2-amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one
SMILESCc1cc(C2(c3ccc(F)c(C)c3)N=C(N)N(C)C2=O)ccn1
InChIInChI=1S/C17H17FN4O/c1-10-8-12(4-5-14(10)18)17(13-6-7-20-11(2)9-13)15(23)22(3)16(19)21-17/h4-9H,1-3H3,(H2,19,21)
InChIKeyCQRMUFLTZCOFIB-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.87
Rot. Bonds2

About 2-amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one

2-amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one (PubChem CID 143700897) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one
PubChem CID143700897
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name2-amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one
SMILESCc1cc(C2(c3ccc(F)c(C)c3)N=C(N)N(C)C2=O)ccn1
InChIInChI=1S/C17H17FN4O/c1-10-8-12(4-5-14(10)18)17(13-6-7-20-11(2)9-13)15(23)22(3)16(19)21-17/h4-9H,1-3H3,(H2,19,21)
InChIKeyCQRMUFLTZCOFIB-UHFFFAOYSA-N
XLogP1.87
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 16726085
(5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one
CID 46830239
(2e,5r)-5-Cyclopropyl-2-Imino-3-Methyl-5-{3-[5-(Prop-1-Yn-1-Yl)pyridin-3-Yl]phenyl}imidazolidin-4-One
CID 57404339
(2e,5r)-5-[3-(5-Chloropyridin-3-Yl)phenyl]-5-Cyclopropyl-2-Imino-3-Methylimidazolidin-4-One
CID 59388465
(2e,5r)-2-Imino-3-Methyl-5-Phenyl-5-[3-(Pyridin-3-Yl)phenyl]imidazolidin-4-One
CID 70685236
(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one
CID 11185491
N-[1-[(Z)-[(cyanoamino)-[(2-methyl-3-pyridinyl)amino]methylidene]amino]-2,2-dimethylpropyl]-2-(4-fluorophenyl)acetamide
CID 11269479
2-Amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 11359820
N-[1-[(Z)-[(cyanoamino)-[(2-methyl-3-pyridinyl)amino]methylidene]amino]-2,2-dimethylpropyl]-2-(3-fluoro-4-methylphenyl)acetamide
CID 11486676
2-Amino-5-[3-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 11544998
5-(3-(5-Chloropyridin-3-yl)phenyl)-5-cyclopropyl-2-imino-3-methylimidazolidin-4one
CID 11566309
2-Amino-5-cyclopropyl-5-[3-(5-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 11609507

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one?
The IUPAC name of 2-amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one (CID 143700897) is 2-amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one is Cc1cc(C2(c3ccc(F)c(C)c3)N=C(N)N(C)C2=O)ccn1.
What is the InChIKey of 2-amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one?
The InChIKey is CQRMUFLTZCOFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-10-8-12(4-5-14(10)18)17(13-6-7-20-11(2)9-13)15(23)22(3)16(19)21-17/h4-9H,1-3H3,(H2,19,21).
What are the key properties of 2-amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one?
2-amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one has a molecular weight of 312.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one is sourced from PubChem (CID 143700897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).