2-amino-4-methyl-4-propyl-1H-imidazol-5-one

C7H13N3O — CID 82996988

IUPAC2-amino-4-methyl-4-propyl-1H-imidazol-5-one
SMILESCCCC1(C)N=C(N)NC1=O
InChIInChI=1S/C7H13N3O/c1-3-4-7(2)5(11)9-6(8)10-7/h3-4H2,1-2H3,(H3,8,9,10,11)
InChIKeyKDHHVJDNIGDSOY-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.01
Rot. Bonds2

About 2-amino-4-methyl-4-propyl-1H-imidazol-5-one

2-amino-4-methyl-4-propyl-1H-imidazol-5-one (PubChem CID 82996988) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-amino-4-methyl-4-propyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-methyl-4-propyl-1H-imidazol-5-one
PubChem CID82996988
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-amino-4-methyl-4-propyl-1H-imidazol-5-one
SMILESCCCC1(C)N=C(N)NC1=O
InChIInChI=1S/C7H13N3O/c1-3-4-7(2)5(11)9-6(8)10-7/h3-4H2,1-2H3,(H3,8,9,10,11)
InChIKeyKDHHVJDNIGDSOY-UHFFFAOYSA-N
XLogP-0.01
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-4-propyl-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-methyl-4-propyl-1H-imidazol-5-one (CID 82996988) is 2-amino-4-methyl-4-propyl-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-methyl-4-propyl-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-methyl-4-propyl-1H-imidazol-5-one is CCCC1(C)N=C(N)NC1=O.
What is the InChIKey of 2-amino-4-methyl-4-propyl-1H-imidazol-5-one?
The InChIKey is KDHHVJDNIGDSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-4-7(2)5(11)9-6(8)10-7/h3-4H2,1-2H3,(H3,8,9,10,11).
What are the key properties of 2-amino-4-methyl-4-propyl-1H-imidazol-5-one?
2-amino-4-methyl-4-propyl-1H-imidazol-5-one has a molecular weight of 155.20 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-4-propyl-1H-imidazol-5-one is sourced from PubChem (CID 82996988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).