1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol

C11H18N2O — CID 66141454

IUPAC1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1cncn1C1CC1
InChIInChI=1S/C11H18N2O/c1-8(2)5-11(14)10-6-12-7-13(10)9-3-4-9/h6-9,11,14H,3-5H2,1-2H3
InChIKeyOMHSSXVSBSXARI-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.30
Rot. Bonds4

About 1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol

1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol (PubChem CID 66141454) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol
PubChem CID66141454
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1cncn1C1CC1
InChIInChI=1S/C11H18N2O/c1-8(2)5-11(14)10-6-12-7-13(10)9-3-4-9/h6-9,11,14H,3-5H2,1-2H3
InChIKeyOMHSSXVSBSXARI-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Hydroxymethyl-imidazol-1-yl)-nonan-2-ol
CID 14888756
1-[1-(cyclopropylmethyl)-1H-imidazol-5-yl]-2,2,2-trifluoroethanol
CID 67401011
1-(1-(cyclopropylmethyl)-1H-imidazol-4-yl)-2,2,2-trifluoroethanol
CID 67402175
1-Fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol
CID 123272110
1-[2-Chloro-3-(oxan-2-yl)imidazol-4-yl]butan-1-ol
CID 176422193
4,4,4-Trifluoro-1-(3-methylimidazol-4-yl)butan-1-ol
CID 66117762
4,4,4-Trifluoro-1-(3-propylimidazol-4-yl)butan-1-ol
CID 66131239
1-(3-Ethylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 66135153
1-(3-Cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanol
CID 66141879
1-(3-Cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 66142466
2,2,2-Trifluoro-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163253
4,4,4-Trifluoro-1-(3-propan-2-ylimidazol-4-yl)butan-1-ol
CID 66164032

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol (CID 66141454) is 1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol is CC(C)CC(O)c1cncn1C1CC1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol?
The InChIKey is OMHSSXVSBSXARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)5-11(14)10-6-12-7-13(10)9-3-4-9/h6-9,11,14H,3-5H2,1-2H3.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol?
1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 66141454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).