[3-(3-ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol

C9H18N2O2 — CID 86340341

IUPAC[3-(3-ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol
SMILESCCOCCCN1CNC=C1CO
InChIInChI=1S/C9H18N2O2/c1-2-13-5-3-4-11-8-10-6-9(11)7-12/h6,10,12H,2-5,7-8H2,1H3
InChIKeyTYOPMPWHWLGJKA-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.11
Rot. Bonds6

About [3-(3-ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol

[3-(3-ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol (PubChem CID 86340341) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is [3-(3-ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(3-ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol
PubChem CID86340341
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name[3-(3-ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol
SMILESCCOCCCN1CNC=C1CO
InChIInChI=1S/C9H18N2O2/c1-2-13-5-3-4-11-8-10-6-9(11)7-12/h6,10,12H,2-5,7-8H2,1H3
InChIKeyTYOPMPWHWLGJKA-UHFFFAOYSA-N
XLogP0.11
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-Ethoxypropyl)-1,2-dihydroimidazol-5-yl]methanol
CID 18673623
(3-Ethyl-1,2-dihydroimidazol-4-yl)methanol
CID 126624535
[3-(2-Methylpropyl)-1,2-dihydroimidazol-4-yl]methanol
CID 129095818
4-(hydroxymethyl)-3-(3-methoxypropyl)-1H-imidazole-2-thione
CID 28289708
1-(3-Ethoxypropyl)-5-(hydroxymethyl)-1,3-dihydro-2H-imidazole-2-thione
CID 28289736
4-(hydroxymethyl)-3-(3-propan-2-yloxypropyl)-1H-imidazole-2-thione
CID 28289737
1-[4-[Dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone
CID 53357182
1-[4-(Hydroxymethyl)-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone
CID 53358895
3-(1-ethoxypropan-2-yl)-4-(hydroxymethyl)-1H-imidazole-2-thione
CID 66145936
4-(hydroxymethyl)-3-(4-methoxybutan-2-yl)-1H-imidazole-2-thione
CID 66145941
3-(2-butoxyethyl)-4-(hydroxymethyl)-1H-imidazole-2-thione
CID 66146568
4-(hydroxymethyl)-3-(3-methoxy-2-methylpropyl)-1H-imidazole-2-thione
CID 66146983

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol?
The IUPAC name of [3-(3-ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol (CID 86340341) is [3-(3-ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol.
What is the SMILES notation for [3-(3-ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol?
The canonical SMILES for [3-(3-ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol is CCOCCCN1CNC=C1CO.
What is the InChIKey of [3-(3-ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol?
The InChIKey is TYOPMPWHWLGJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-13-5-3-4-11-8-10-6-9(11)7-12/h6,10,12H,2-5,7-8H2,1H3.
What are the key properties of [3-(3-ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol?
[3-(3-ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol has a molecular weight of 186.25 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol is sourced from PubChem (CID 86340341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).