1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol

C13H22N2O — CID 79744578

IUPAC1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
SMILESCCn1ccnc1CC1(O)CCCCCC1
InChIInChI=1S/C13H22N2O/c1-2-15-10-9-14-12(15)11-13(16)7-5-3-4-6-8-13/h9-10,16H,2-8,11H2,1H3
InChIKeyPNWBRLKXZJGETJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.53
Rot. Bonds3

About 1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol

1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol (PubChem CID 79744578) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
PubChem CID79744578
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
SMILESCCn1ccnc1CC1(O)CCCCCC1
InChIInChI=1S/C13H22N2O/c1-2-15-10-9-14-12(15)11-13(16)7-5-3-4-6-8-13/h9-10,16H,2-8,11H2,1H3
InChIKeyPNWBRLKXZJGETJ-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol
CID 79744305
1-[(1-ethylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79744950
3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol
CID 79744249
1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429783
2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449747
2-ethyl-4-[(1-ethylimidazol-2-yl)methyl]oxan-4-ol
CID 79744060
1-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-ol
CID 79734846
1-[[(1-ethylimidazol-2-yl)amino]methyl]cyclopentan-1-ol
CID 65110887
3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine
CID 112563016
1-ethyl-4-[(1-methylimidazol-2-yl)methyl]azepan-4-ol
CID 79743883
4-[(1-ethylimidazol-2-yl)methyl]oxan-4-amine
CID 79743997

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol (CID 79744578) is 1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol is CCn1ccnc1CC1(O)CCCCCC1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol?
The InChIKey is PNWBRLKXZJGETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-15-10-9-14-12(15)11-13(16)7-5-3-4-6-8-13/h9-10,16H,2-8,11H2,1H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol?
1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.53, 3 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]cycloheptan-1-ol is sourced from PubChem (CID 79744578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).