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

C10H21N2O+ — CID 57316845

IUPAC4-(1-ethyl-4,5-dihydroimidazol-1-ium-1-yl)pentan-1-ol
SMILESCC[N+]1(C(C)CCCO)C=NCC1
InChIInChI=1S/C10H21N2O/c1-3-12(7-6-11-9-12)10(2)5-4-8-13/h9-10,13H,3-8H2,1-2H3/q+1
InChIKeyYRMLQBQTNAKSEM-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.03
Rot. Bonds5

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

4-(1-ethyl-4,5-dihydroimidazol-1-ium-1-yl)pentan-1-ol (PubChem CID 57316845) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-(1-ethyl-4,5-dihydroimidazol-1-ium-1-yl)pentan-1-ol.

Molecular Properties

Compound Name4-(1-ethyl-4,5-dihydroimidazol-1-ium-1-yl)pentan-1-ol
PubChem CID57316845
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name4-(1-ethyl-4,5-dihydroimidazol-1-ium-1-yl)pentan-1-ol
SMILESCC[N+]1(C(C)CCCO)C=NCC1
InChIInChI=1S/C10H21N2O/c1-3-12(7-6-11-9-12)10(2)5-4-8-13/h9-10,13H,3-8H2,1-2H3/q+1
InChIKeyYRMLQBQTNAKSEM-UHFFFAOYSA-N
XLogP1.03
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-4,5-dihydroimidazol-1-ium-1-yl)pentan-1-ol?
The IUPAC name of 4-(1-ethyl-4,5-dihydroimidazol-1-ium-1-yl)pentan-1-ol (CID 57316845) is 4-(1-ethyl-4,5-dihydroimidazol-1-ium-1-yl)pentan-1-ol.
What is the SMILES notation for 4-(1-ethyl-4,5-dihydroimidazol-1-ium-1-yl)pentan-1-ol?
The canonical SMILES for 4-(1-ethyl-4,5-dihydroimidazol-1-ium-1-yl)pentan-1-ol is CC[N+]1(C(C)CCCO)C=NCC1.
What is the InChIKey of 4-(1-ethyl-4,5-dihydroimidazol-1-ium-1-yl)pentan-1-ol?
The InChIKey is YRMLQBQTNAKSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O/c1-3-12(7-6-11-9-12)10(2)5-4-8-13/h9-10,13H,3-8H2,1-2H3/q+1.
What are the key properties of 4-(1-ethyl-4,5-dihydroimidazol-1-ium-1-yl)pentan-1-ol?
4-(1-ethyl-4,5-dihydroimidazol-1-ium-1-yl)pentan-1-ol has a molecular weight of 185.29 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-4,5-dihydroimidazol-1-ium-1-yl)pentan-1-ol is sourced from PubChem (CID 57316845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).