3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol

C12H20N2O — CID 106590501

IUPAC3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol
SMILESCC(C)n1cncc1C(O)CCC1CC1
InChIInChI=1S/C12H20N2O/c1-9(2)14-8-13-7-11(14)12(15)6-5-10-3-4-10/h7-10,12,15H,3-6H2,1-2H3
InChIKeyUGHLBIHJWPMXCM-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.69
Rot. Bonds5

About 3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol

3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol (PubChem CID 106590501) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol
PubChem CID106590501
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol
SMILESCC(C)n1cncc1C(O)CCC1CC1
InChIInChI=1S/C12H20N2O/c1-9(2)14-8-13-7-11(14)12(15)6-5-10-3-4-10/h7-10,12,15H,3-6H2,1-2H3
InChIKeyUGHLBIHJWPMXCM-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol?
The IUPAC name of 3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol (CID 106590501) is 3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol?
The canonical SMILES for 3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol is CC(C)n1cncc1C(O)CCC1CC1.
What is the InChIKey of 3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol?
The InChIKey is UGHLBIHJWPMXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)14-8-13-7-11(14)12(15)6-5-10-3-4-10/h7-10,12,15H,3-6H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol?
3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 106590501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).