4-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]-5-hydroxy-1,3-dihydroimidazol-2-one

C13H15N3O2 — CID 91379635

IUPAC4-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCc1c(-c2[nH]c(=O)[nH]c2O)ccc2c1CC[C@@H]2N
InChIInChI=1S/C13H15N3O2/c1-6-7-4-5-10(14)9(7)3-2-8(6)11-12(17)16-13(18)15-11/h2-3,10,17H,4-5,14H2,1H3,(H2,15,16,18)/t10-/m0/s1
InChIKeyUCUULVJVPFVADW-JTQLQIEISA-N
MW245.28 g/mol
LogP1.33
Rot. Bonds1

About 4-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 91379635) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID91379635
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCc1c(-c2[nH]c(=O)[nH]c2O)ccc2c1CC[C@@H]2N
InChIInChI=1S/C13H15N3O2/c1-6-7-4-5-10(14)9(7)3-2-8(6)11-12(17)16-13(18)15-11/h2-3,10,17H,4-5,14H2,1H3,(H2,15,16,18)/t10-/m0/s1
InChIKeyUCUULVJVPFVADW-JTQLQIEISA-N
XLogP1.33
TPSA94.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 91379635) is 4-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]-5-hydroxy-1,3-dihydroimidazol-2-one is Cc1c(-c2[nH]c(=O)[nH]c2O)ccc2c1CC[C@@H]2N.
What is the InChIKey of 4-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is UCUULVJVPFVADW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N3O2/c1-6-7-4-5-10(14)9(7)3-2-8(6)11-12(17)16-13(18)15-11/h2-3,10,17H,4-5,14H2,1H3,(H2,15,16,18)/t10-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.33, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-4-methyl-2,3-dihydro-1H-inden-5-yl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 91379635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).