[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol

C9H15N3O — CID 58238299

IUPAC[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol
SMILESCN1CCC[C@H]1c1ncc(CO)[nH]1
InChIInChI=1S/C9H15N3O/c1-12-4-2-3-8(12)9-10-5-7(6-13)11-9/h5,8,13H,2-4,6H2,1H3,(H,10,11)/t8-/m0/s1
InChIKeyNZUYYGFZCUAZFD-QMMMGPOBSA-N
MW181.24 g/mol
LogP0.67
Rot. Bonds2

About [2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol

[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol (PubChem CID 58238299) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol
PubChem CID58238299
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol
SMILESCN1CCC[C@H]1c1ncc(CO)[nH]1
InChIInChI=1S/C9H15N3O/c1-12-4-2-3-8(12)9-10-5-7(6-13)11-9/h5,8,13H,2-4,6H2,1H3,(H,10,11)/t8-/m0/s1
InChIKeyNZUYYGFZCUAZFD-QMMMGPOBSA-N
XLogP0.67
TPSA52.15 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 ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol (CID 58238299) is [2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol is CN1CCC[C@H]1c1ncc(CO)[nH]1.
What is the InChIKey of [2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol?
The InChIKey is NZUYYGFZCUAZFD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-4-2-3-8(12)9-10-5-7(6-13)11-9/h5,8,13H,2-4,6H2,1H3,(H,10,11)/t8-/m0/s1.
What are the key properties of [2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol?
[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol has a molecular weight of 181.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 58238299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).