1-(4,5-dihydroimidazol-1-yl)pentan-1-ol

C8H16N2O — CID 22375926

IUPAC1-(4,5-dihydroimidazol-1-yl)pentan-1-ol
SMILESCCCCC(O)N1C=NCC1
InChIInChI=1S/C8H16N2O/c1-2-3-4-8(11)10-6-5-9-7-10/h7-8,11H,2-6H2,1H3
InChIKeyVQCDAZWBLQGYBD-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.84
Rot. Bonds4

About 1-(4,5-dihydroimidazol-1-yl)pentan-1-ol

1-(4,5-dihydroimidazol-1-yl)pentan-1-ol (PubChem CID 22375926) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(4,5-dihydroimidazol-1-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(4,5-dihydroimidazol-1-yl)pentan-1-ol
PubChem CID22375926
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(4,5-dihydroimidazol-1-yl)pentan-1-ol
SMILESCCCCC(O)N1C=NCC1
InChIInChI=1S/C8H16N2O/c1-2-3-4-8(11)10-6-5-9-7-10/h7-8,11H,2-6H2,1H3
InChIKeyVQCDAZWBLQGYBD-UHFFFAOYSA-N
XLogP0.84
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydroimidazol-1-yl)pentan-1-ol?
The IUPAC name of 1-(4,5-dihydroimidazol-1-yl)pentan-1-ol (CID 22375926) is 1-(4,5-dihydroimidazol-1-yl)pentan-1-ol.
What is the SMILES notation for 1-(4,5-dihydroimidazol-1-yl)pentan-1-ol?
The canonical SMILES for 1-(4,5-dihydroimidazol-1-yl)pentan-1-ol is CCCCC(O)N1C=NCC1.
What is the InChIKey of 1-(4,5-dihydroimidazol-1-yl)pentan-1-ol?
The InChIKey is VQCDAZWBLQGYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-3-4-8(11)10-6-5-9-7-10/h7-8,11H,2-6H2,1H3.
What are the key properties of 1-(4,5-dihydroimidazol-1-yl)pentan-1-ol?
1-(4,5-dihydroimidazol-1-yl)pentan-1-ol has a molecular weight of 156.23 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydroimidazol-1-yl)pentan-1-ol is sourced from PubChem (CID 22375926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).