5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one

C10H15N5O — CID 79967025

IUPAC5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCC(C)N1C(=O)N=C(N)C1c1cncn1C
InChIInChI=1S/C10H15N5O/c1-6(2)15-8(9(11)13-10(15)16)7-4-12-5-14(7)3/h4-6,8H,1-3H3,(H2,11,13,16)
InChIKeyPUXPJJBVEXEASE-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.66
Rot. Bonds2

About 5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one

5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one (PubChem CID 79967025) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one
PubChem CID79967025
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCC(C)N1C(=O)N=C(N)C1c1cncn1C
InChIInChI=1S/C10H15N5O/c1-6(2)15-8(9(11)13-10(15)16)7-4-12-5-14(7)3/h4-6,8H,1-3H3,(H2,11,13,16)
InChIKeyPUXPJJBVEXEASE-UHFFFAOYSA-N
XLogP0.66
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one (CID 79967025) is 5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one is CC(C)N1C(=O)N=C(N)C1c1cncn1C.
What is the InChIKey of 5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one?
The InChIKey is PUXPJJBVEXEASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-6(2)15-8(9(11)13-10(15)16)7-4-12-5-14(7)3/h4-6,8H,1-3H3,(H2,11,13,16).
What are the key properties of 5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one?
5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one is sourced from PubChem (CID 79967025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).