(2-ethyl-2,3-dihydro-1H-imidazol-4-yl)methanol

C6H12N2O — CID 86340940

IUPAC(2-ethyl-2,3-dihydro-1H-imidazol-4-yl)methanol
SMILESCCC1NC=C(CO)N1
InChIInChI=1S/C6H12N2O/c1-2-6-7-3-5(4-9)8-6/h3,6-9H,2,4H2,1H3
InChIKeyPUEINAQTMMUAFH-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.25
Rot. Bonds2

About (2-ethyl-2,3-dihydro-1H-imidazol-4-yl)methanol

(2-ethyl-2,3-dihydro-1H-imidazol-4-yl)methanol (PubChem CID 86340940) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (2-ethyl-2,3-dihydro-1H-imidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-2,3-dihydro-1H-imidazol-4-yl)methanol
PubChem CID86340940
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(2-ethyl-2,3-dihydro-1H-imidazol-4-yl)methanol
SMILESCCC1NC=C(CO)N1
InChIInChI=1S/C6H12N2O/c1-2-6-7-3-5(4-9)8-6/h3,6-9H,2,4H2,1H3
InChIKeyPUEINAQTMMUAFH-UHFFFAOYSA-N
XLogP-0.25
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethyl-2-sulfanyl-1H-imidazol-5-yl)methanol
CID 22988644
2,3-dihydro-1H-imidazol-4-ylmethanol
CID 12630193
[3-(3-Ethoxypropyl)-1,2-dihydroimidazol-5-yl]methanol
CID 18673623
(2-mercapto-1-propyl-1H-imidazol-5-yl)methanol
CID 22938703
(1,2,3-trimethyl-2H-imidazol-4-yl)methanol
CID 67521278
2-(Propylamino)prop-2-en-1-ol
CID 88884742
(Z)-2,3-bis(methylamino)prop-2-en-1-ol
CID 88953890
(Z)-3-amino-2-(methylamino)prop-2-en-1-ol
CID 89206103
(3-Ethyl-1,2-dihydroimidazol-4-yl)methanol
CID 126624535
[3-(2-Methylpropyl)-1,2-dihydroimidazol-4-yl]methanol
CID 129095818
(2-amino-1,3-dimethyl-2H-imidazol-4-yl)methanol
CID 141116737
Ethane;4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione
CID 144452854

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2,3-dihydro-1H-imidazol-4-yl)methanol?
The IUPAC name of (2-ethyl-2,3-dihydro-1H-imidazol-4-yl)methanol (CID 86340940) is (2-ethyl-2,3-dihydro-1H-imidazol-4-yl)methanol.
What is the SMILES notation for (2-ethyl-2,3-dihydro-1H-imidazol-4-yl)methanol?
The canonical SMILES for (2-ethyl-2,3-dihydro-1H-imidazol-4-yl)methanol is CCC1NC=C(CO)N1.
What is the InChIKey of (2-ethyl-2,3-dihydro-1H-imidazol-4-yl)methanol?
The InChIKey is PUEINAQTMMUAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-6-7-3-5(4-9)8-6/h3,6-9H,2,4H2,1H3.
What are the key properties of (2-ethyl-2,3-dihydro-1H-imidazol-4-yl)methanol?
(2-ethyl-2,3-dihydro-1H-imidazol-4-yl)methanol has a molecular weight of 128.17 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2,3-dihydro-1H-imidazol-4-yl)methanol is sourced from PubChem (CID 86340940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).