3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol

C8H16N2O — CID 138488020

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol
SMILESCCC(C1=NCCN1)C(C)O
InChIInChI=1S/C8H16N2O/c1-3-7(6(2)11)8-9-4-5-10-8/h6-7,11H,3-5H2,1-2H3,(H,9,10)
InChIKeyCRMRSNHBMKFIQZ-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.20
Rot. Bonds3

About 3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol

3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol (PubChem CID 138488020) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol
PubChem CID138488020
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol
SMILESCCC(C1=NCCN1)C(C)O
InChIInChI=1S/C8H16N2O/c1-3-7(6(2)11)8-9-4-5-10-8/h6-7,11H,3-5H2,1-2H3,(H,9,10)
InChIKeyCRMRSNHBMKFIQZ-UHFFFAOYSA-N
XLogP-0.20
TPSA44.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity156

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol (CID 138488020) is 3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol is CCC(C1=NCCN1)C(C)O.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol?
The InChIKey is CRMRSNHBMKFIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-7(6(2)11)8-9-4-5-10-8/h6-7,11H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol?
3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol has a molecular weight of 156.23 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)pentan-2-ol is sourced from PubChem (CID 138488020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).