2-amino-5-cyclopropyl-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one

C19H20N4O2 — CID 59387407

IUPAC2-amino-5-cyclopropyl-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCOc1cncc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C19H20N4O2/c1-23-17(24)19(14-6-7-14,22-18(23)20)15-5-3-4-12(8-15)13-9-16(25-2)11-21-10-13/h3-5,8-11,14H,6-7H2,1-2H3,(H2,20,22)
InChIKeyVBEPQYVSCSCKOC-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.15
Rot. Bonds4

About 2-amino-5-cyclopropyl-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one

2-amino-5-cyclopropyl-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one (PubChem CID 59387407) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one
PubChem CID59387407
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-amino-5-cyclopropyl-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCOc1cncc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C19H20N4O2/c1-23-17(24)19(14-6-7-14,22-18(23)20)15-5-3-4-12(8-15)13-9-16(25-2)11-21-10-13/h3-5,8-11,14H,6-7H2,1-2H3,(H2,20,22)
InChIKeyVBEPQYVSCSCKOC-UHFFFAOYSA-N
XLogP2.15
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-cyclopropyl-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one (CID 59387407) is 2-amino-5-cyclopropyl-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-cyclopropyl-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-cyclopropyl-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one is COc1cncc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1.
What is the InChIKey of 2-amino-5-cyclopropyl-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The InChIKey is VBEPQYVSCSCKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-23-17(24)19(14-6-7-14,22-18(23)20)15-5-3-4-12(8-15)13-9-16(25-2)11-21-10-13/h3-5,8-11,14H,6-7H2,1-2H3,(H2,20,22).
What are the key properties of 2-amino-5-cyclopropyl-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
2-amino-5-cyclopropyl-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one has a molecular weight of 336.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopropyl-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 59387407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).