[(5S)-2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl]methanol

C7H14N2O — CID 139457728

IUPAC[(5S)-2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl]methanol
SMILESCC(C)C1=NC[C@@H](CO)N1
InChIInChI=1S/C7H14N2O/c1-5(2)7-8-3-6(4-10)9-7/h5-6,10H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKeyOFTRAEJWCWSUHE-LURJTMIESA-N
MW142.20 g/mol
LogP0.00
Rot. Bonds2

About [(5S)-2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl]methanol

[(5S)-2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl]methanol (PubChem CID 139457728) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is [(5S)-2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[(5S)-2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl]methanol
PubChem CID139457728
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name[(5S)-2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl]methanol
SMILESCC(C)C1=NC[C@@H](CO)N1
InChIInChI=1S/C7H14N2O/c1-5(2)7-8-3-6(4-10)9-7/h5-6,10H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKeyOFTRAEJWCWSUHE-LURJTMIESA-N
XLogP0.00
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5S)-2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl]methanol?
The IUPAC name of [(5S)-2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl]methanol (CID 139457728) is [(5S)-2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [(5S)-2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl]methanol?
The canonical SMILES for [(5S)-2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl]methanol is CC(C)C1=NC[C@@H](CO)N1.
What is the InChIKey of [(5S)-2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl]methanol?
The InChIKey is OFTRAEJWCWSUHE-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(2)7-8-3-6(4-10)9-7/h5-6,10H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1.
What are the key properties of [(5S)-2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl]methanol?
[(5S)-2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl]methanol has a molecular weight of 142.20 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-propan-2-yl-4,5-dihydro-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 139457728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).