1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol

C15H26N2O — CID 79744950

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCCn1ccnc1CC1(O)CCC(C(C)C)CC1
InChIInChI=1S/C15H26N2O/c1-4-17-10-9-16-14(17)11-15(18)7-5-13(6-8-15)12(2)3/h9-10,12-13,18H,4-8,11H2,1-3H3
InChIKeyUPDWDHCNNVCWME-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.02
Rot. Bonds4

About 1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol

1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 79744950) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID79744950
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCCn1ccnc1CC1(O)CCC(C(C)C)CC1
InChIInChI=1S/C15H26N2O/c1-4-17-10-9-16-14(17)11-15(18)7-5-13(6-8-15)12(2)3/h9-10,12-13,18H,4-8,11H2,1-3H3
InChIKeyUPDWDHCNNVCWME-UHFFFAOYSA-N
XLogP3.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744578
1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol
CID 79744305
1-(1-ethylimidazol-2-yl)-4-propan-2-ylcyclohexan-1-ol
CID 63975652
1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429783
3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol
CID 79744249
2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol
CID 79744060
1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79751359
1-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-ol
CID 79734846
1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 105115196
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997
1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
CID 79743744

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol (CID 79744950) is 1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol is CCn1ccnc1CC1(O)CCC(C(C)C)CC1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is UPDWDHCNNVCWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-17-10-9-16-14(17)11-15(18)7-5-13(6-8-15)12(2)3/h9-10,12-13,18H,4-8,11H2,1-3H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol?
1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 79744950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).