1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol

C10H16N2O2 — CID 103456993

IUPAC1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol
SMILESCCn1ccnc1C(O)C(O)C1CC1
InChIInChI=1S/C10H16N2O2/c1-2-12-6-5-11-10(12)9(14)8(13)7-3-4-7/h5-9,13-14H,2-4H2,1H3
InChIKeyZXOWPOXEOBOCMD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.71
Rot. Bonds4

About 1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol

1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol (PubChem CID 103456993) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol
PubChem CID103456993
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol
SMILESCCn1ccnc1C(O)C(O)C1CC1
InChIInChI=1S/C10H16N2O2/c1-2-12-6-5-11-10(12)9(14)8(13)7-3-4-7/h5-9,13-14H,2-4H2,1H3
InChIKeyZXOWPOXEOBOCMD-UHFFFAOYSA-N
XLogP0.71
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol
CID 103457324
1-(1-ethylimidazol-2-yl)-2-methoxypropan-1-ol
CID 79616649
3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide
CID 171869595
7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol
CID 115800045
N-(1-cyclopropylethyl)-1-ethylimidazol-2-amine
CID 62136953
1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one
CID 103455919
2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol
CID 116712316
(1-ethylimidazol-2-yl)-(thian-2-yl)methanol
CID 80622339
(4-ethylcyclohexyl)-(1-propylimidazol-2-yl)methanol
CID 65393927
1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanol
CID 103986534
1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026
N-[(1R)-1-(1-ethylimidazol-2-yl)ethyl]cyclopropanamine
CID 97177377

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol?
The IUPAC name of 1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol (CID 103456993) is 1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol?
The canonical SMILES for 1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol is CCn1ccnc1C(O)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol?
The InChIKey is ZXOWPOXEOBOCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-12-6-5-11-10(12)9(14)8(13)7-3-4-7/h5-9,13-14H,2-4H2,1H3.
What are the key properties of 1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol?
1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol has a molecular weight of 196.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol is sourced from PubChem (CID 103456993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).