2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one

C19H20N4O — CID 59262510

IUPAC2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one
SMILESCc1cncc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C19H20N4O/c1-12-8-14(11-21-10-12)13-4-3-5-16(9-13)19(15-6-7-15)17(24)23(2)18(20)22-19/h3-5,8-11,15H,6-7H2,1-2H3,(H2,20,22)
InChIKeyFJJHRLCGQGECLA-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.45
Rot. Bonds3

About 2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one

2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one (PubChem CID 59262510) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one
PubChem CID59262510
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one
SMILESCc1cncc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C19H20N4O/c1-12-8-14(11-21-10-12)13-4-3-5-16(9-13)19(15-6-7-15)17(24)23(2)18(20)22-19/h3-5,8-11,15H,6-7H2,1-2H3,(H2,20,22)
InChIKeyFJJHRLCGQGECLA-UHFFFAOYSA-N
XLogP2.45
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one?
The IUPAC name of 2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one (CID 59262510) is 2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one is Cc1cncc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1.
What is the InChIKey of 2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one?
The InChIKey is FJJHRLCGQGECLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-8-14(11-21-10-12)13-4-3-5-16(9-13)19(15-6-7-15)17(24)23(2)18(20)22-19/h3-5,8-11,15H,6-7H2,1-2H3,(H2,20,22).
What are the key properties of 2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one?
2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one has a molecular weight of 320.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopropyl-3-methyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one is sourced from PubChem (CID 59262510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).