4-cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one

C9H15N3O — CID 82998069

IUPAC4-cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one
SMILESCC(C)NC1=NC(C2CC2)C(=O)N1
InChIInChI=1S/C9H15N3O/c1-5(2)10-9-11-7(6-3-4-6)8(13)12-9/h5-7H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyQLLYSMLGMKBNBW-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.25
Rot. Bonds2

About 4-cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one

4-cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one (PubChem CID 82998069) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one
PubChem CID82998069
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one
SMILESCC(C)NC1=NC(C2CC2)C(=O)N1
InChIInChI=1S/C9H15N3O/c1-5(2)10-9-11-7(6-3-4-6)8(13)12-9/h5-7H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyQLLYSMLGMKBNBW-UHFFFAOYSA-N
XLogP0.25
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one (CID 82998069) is 4-cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one is CC(C)NC1=NC(C2CC2)C(=O)N1.
What is the InChIKey of 4-cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one?
The InChIKey is QLLYSMLGMKBNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-5(2)10-9-11-7(6-3-4-6)8(13)12-9/h5-7H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one?
4-cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one has a molecular weight of 181.24 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82998069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).