3-(4,5-dihydroimidazol-1-yl)pentan-1-ol

C8H16N2O — CID 174892318

IUPAC3-(4,5-dihydroimidazol-1-yl)pentan-1-ol
SMILESCCC(CCO)N1C=NCC1
InChIInChI=1S/C8H16N2O/c1-2-8(3-6-11)10-5-4-9-7-10/h7-8,11H,2-6H2,1H3
InChIKeyZMLHRXZNNZWRTP-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.49
Rot. Bonds4

About 3-(4,5-dihydroimidazol-1-yl)pentan-1-ol

3-(4,5-dihydroimidazol-1-yl)pentan-1-ol (PubChem CID 174892318) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(4,5-dihydroimidazol-1-yl)pentan-1-ol.

Molecular Properties

Compound Name3-(4,5-dihydroimidazol-1-yl)pentan-1-ol
PubChem CID174892318
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(4,5-dihydroimidazol-1-yl)pentan-1-ol
SMILESCCC(CCO)N1C=NCC1
InChIInChI=1S/C8H16N2O/c1-2-8(3-6-11)10-5-4-9-7-10/h7-8,11H,2-6H2,1H3
InChIKeyZMLHRXZNNZWRTP-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydroimidazol-1-yl)pentan-1-ol?
The IUPAC name of 3-(4,5-dihydroimidazol-1-yl)pentan-1-ol (CID 174892318) is 3-(4,5-dihydroimidazol-1-yl)pentan-1-ol.
What is the SMILES notation for 3-(4,5-dihydroimidazol-1-yl)pentan-1-ol?
The canonical SMILES for 3-(4,5-dihydroimidazol-1-yl)pentan-1-ol is CCC(CCO)N1C=NCC1.
What is the InChIKey of 3-(4,5-dihydroimidazol-1-yl)pentan-1-ol?
The InChIKey is ZMLHRXZNNZWRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-8(3-6-11)10-5-4-9-7-10/h7-8,11H,2-6H2,1H3.
What are the key properties of 3-(4,5-dihydroimidazol-1-yl)pentan-1-ol?
3-(4,5-dihydroimidazol-1-yl)pentan-1-ol has a molecular weight of 156.23 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydroimidazol-1-yl)pentan-1-ol is sourced from PubChem (CID 174892318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).