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

C8H16N2O — CID 67717067

IUPAC4-(4,5-dihydro-1H-imidazol-2-yl)pentan-1-ol
SMILESCC(CCCO)C1=NCCN1
InChIInChI=1S/C8H16N2O/c1-7(3-2-6-11)8-9-4-5-10-8/h7,11H,2-6H2,1H3,(H,9,10)
InChIKeyJMLYGHIHEUNPRY-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.40
Rot. Bonds4

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

4-(4,5-dihydro-1H-imidazol-2-yl)pentan-1-ol (PubChem CID 67717067) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-yl)pentan-1-ol
PubChem CID67717067
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-yl)pentan-1-ol
SMILESCC(CCCO)C1=NCCN1
InChIInChI=1S/C8H16N2O/c1-7(3-2-6-11)8-9-4-5-10-8/h7,11H,2-6H2,1H3,(H,9,10)
InChIKeyJMLYGHIHEUNPRY-UHFFFAOYSA-N
XLogP0.40
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)pentan-1-ol?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)pentan-1-ol (CID 67717067) is 4-(4,5-dihydro-1H-imidazol-2-yl)pentan-1-ol.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-yl)pentan-1-ol?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-yl)pentan-1-ol is CC(CCCO)C1=NCCN1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-yl)pentan-1-ol?
The InChIKey is JMLYGHIHEUNPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(3-2-6-11)8-9-4-5-10-8/h7,11H,2-6H2,1H3,(H,9,10).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-yl)pentan-1-ol?
4-(4,5-dihydro-1H-imidazol-2-yl)pentan-1-ol has a molecular weight of 156.23 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-yl)pentan-1-ol is sourced from PubChem (CID 67717067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).