1-[2-[(1S)-1-amino-2-methylpropyl]-1H-imidazol-5-yl]-2-methylpropan-1-ol

C11H21N3O — CID 22883880

IUPAC1-[2-[(1S)-1-amino-2-methylpropyl]-1H-imidazol-5-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1cnc([C@@H](N)C(C)C)[nH]1
InChIInChI=1S/C11H21N3O/c1-6(2)9(12)11-13-5-8(14-11)10(15)7(3)4/h5-7,9-10,15H,12H2,1-4H3,(H,13,14)/t9-,10?/m0/s1
InChIKeyFYWMGYPXPZMDKK-RGURZIINSA-N
MW211.31 g/mol
LogP1.75
Rot. Bonds4

About 1-[2-[(1S)-1-amino-2-methylpropyl]-1H-imidazol-5-yl]-2-methylpropan-1-ol

1-[2-[(1S)-1-amino-2-methylpropyl]-1H-imidazol-5-yl]-2-methylpropan-1-ol (PubChem CID 22883880) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[2-[(1S)-1-amino-2-methylpropyl]-1H-imidazol-5-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[2-[(1S)-1-amino-2-methylpropyl]-1H-imidazol-5-yl]-2-methylpropan-1-ol
PubChem CID22883880
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[2-[(1S)-1-amino-2-methylpropyl]-1H-imidazol-5-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1cnc([C@@H](N)C(C)C)[nH]1
InChIInChI=1S/C11H21N3O/c1-6(2)9(12)11-13-5-8(14-11)10(15)7(3)4/h5-7,9-10,15H,12H2,1-4H3,(H,13,14)/t9-,10?/m0/s1
InChIKeyFYWMGYPXPZMDKK-RGURZIINSA-N
XLogP1.75
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-1-amino-2-methylpropyl]-1H-imidazol-5-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[2-[(1S)-1-amino-2-methylpropyl]-1H-imidazol-5-yl]-2-methylpropan-1-ol (CID 22883880) is 1-[2-[(1S)-1-amino-2-methylpropyl]-1H-imidazol-5-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[2-[(1S)-1-amino-2-methylpropyl]-1H-imidazol-5-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[2-[(1S)-1-amino-2-methylpropyl]-1H-imidazol-5-yl]-2-methylpropan-1-ol is CC(C)C(O)c1cnc([C@@H](N)C(C)C)[nH]1.
What is the InChIKey of 1-[2-[(1S)-1-amino-2-methylpropyl]-1H-imidazol-5-yl]-2-methylpropan-1-ol?
The InChIKey is FYWMGYPXPZMDKK-RGURZIINSA-N. The full InChI is InChI=1S/C11H21N3O/c1-6(2)9(12)11-13-5-8(14-11)10(15)7(3)4/h5-7,9-10,15H,12H2,1-4H3,(H,13,14)/t9-,10?/m0/s1.
What are the key properties of 1-[2-[(1S)-1-amino-2-methylpropyl]-1H-imidazol-5-yl]-2-methylpropan-1-ol?
1-[2-[(1S)-1-amino-2-methylpropyl]-1H-imidazol-5-yl]-2-methylpropan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S)-1-amino-2-methylpropyl]-1H-imidazol-5-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 22883880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).