3-(4,5-dihydro-1H-imidazol-2-yl)cyclopentane-1,2-diol

C8H14N2O2 — CID 91292953

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)cyclopentane-1,2-diol
SMILESOC1CCC(C2=NCCN2)C1O
InChIInChI=1S/C8H14N2O2/c11-6-2-1-5(7(6)12)8-9-3-4-10-8/h5-7,11-12H,1-4H2,(H,9,10)
InChIKeyVBYCJFLOHIMPFX-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.88
Rot. Bonds1

About 3-(4,5-dihydro-1H-imidazol-2-yl)cyclopentane-1,2-diol

3-(4,5-dihydro-1H-imidazol-2-yl)cyclopentane-1,2-diol (PubChem CID 91292953) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)cyclopentane-1,2-diol
PubChem CID91292953
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)cyclopentane-1,2-diol
SMILESOC1CCC(C2=NCCN2)C1O
InChIInChI=1S/C8H14N2O2/c11-6-2-1-5(7(6)12)8-9-3-4-10-8/h5-7,11-12H,1-4H2,(H,9,10)
InChIKeyVBYCJFLOHIMPFX-UHFFFAOYSA-N
XLogP-0.88
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]cyclopentan-1-ol
CID 106129369

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)cyclopentane-1,2-diol?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)cyclopentane-1,2-diol (CID 91292953) is 3-(4,5-dihydro-1H-imidazol-2-yl)cyclopentane-1,2-diol.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)cyclopentane-1,2-diol?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)cyclopentane-1,2-diol is OC1CCC(C2=NCCN2)C1O.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)cyclopentane-1,2-diol?
The InChIKey is VBYCJFLOHIMPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-6-2-1-5(7(6)12)8-9-3-4-10-8/h5-7,11-12H,1-4H2,(H,9,10).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)cyclopentane-1,2-diol?
3-(4,5-dihydro-1H-imidazol-2-yl)cyclopentane-1,2-diol has a molecular weight of 170.21 g/mol, XLogP of -0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)cyclopentane-1,2-diol is sourced from PubChem (CID 91292953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).