(3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol

C15H24N2O — CID 103277462

IUPAC(3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)C1CC(C)=CC(C)C1
InChIInChI=1S/C15H24N2O/c1-4-6-17-7-5-16-15(17)14(18)13-9-11(2)8-12(3)10-13/h5,7-8,11,13-14,18H,4,6,9-10H2,1-3H3
InChIKeyIWOWKLXTJFBVHE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.32
Rot. Bonds4

About (3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol

(3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol (PubChem CID 103277462) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol
PubChem CID103277462
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)C1CC(C)=CC(C)C1
InChIInChI=1S/C15H24N2O/c1-4-6-17-7-5-16-15(17)14(18)13-9-11(2)8-12(3)10-13/h5,7-8,11,13-14,18H,4,6,9-10H2,1-3H3
InChIKeyIWOWKLXTJFBVHE-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol
CID 115799261
(4-ethylcyclohexyl)-(1-propylimidazol-2-yl)methanol
CID 65393927
(3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanol
CID 115799314
(2-methylcyclopropyl)-(1-propylimidazol-2-yl)methanamine
CID 65420833
1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol
CID 103277568
(4-methylmorpholin-2-yl)-(1-propylimidazol-2-yl)methanol
CID 79087761
(1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 63976478
(3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol
CID 103277555
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989
(1-propylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 63975228
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol
CID 114822737
(5-methylfuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 61316298

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol?
The IUPAC name of (3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol (CID 103277462) is (3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol.
What is the SMILES notation for (3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol?
The canonical SMILES for (3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol is CCCn1ccnc1C(O)C1CC(C)=CC(C)C1.
What is the InChIKey of (3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol?
The InChIKey is IWOWKLXTJFBVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-6-17-7-5-16-15(17)14(18)13-9-11(2)8-12(3)10-13/h5,7-8,11,13-14,18H,4,6,9-10H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol?
(3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol has a molecular weight of 248.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol is sourced from PubChem (CID 103277462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).