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

C14H24N2O — CID 79744670

IUPAC1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
SMILESCCCn1ccnc1CC1(O)CCCCCC1
InChIInChI=1S/C14H24N2O/c1-2-10-16-11-9-15-13(16)12-14(17)7-5-3-4-6-8-14/h9,11,17H,2-8,10,12H2,1H3
InChIKeyBSUCSJFYAPUXDR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.92
Rot. Bonds4

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

1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol (PubChem CID 79744670) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
PubChem CID79744670
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
SMILESCCCn1ccnc1CC1(O)CCCCCC1
InChIInChI=1S/C14H24N2O/c1-2-10-16-11-9-15-13(16)12-14(17)7-5-3-4-6-8-14/h9,11,17H,2-8,10,12H2,1H3
InChIKeyBSUCSJFYAPUXDR-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.92
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-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
CID 103449553
2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane
CID 79761287
1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol
CID 79744305
1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 79744387
1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 116600658
2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744341
1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 107189998
1-(1-methoxycyclopentyl)-2-(1-propylimidazol-2-yl)ethanol
CID 104610436
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
3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744716

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol (CID 79744670) is 1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol is CCCn1ccnc1CC1(O)CCCCCC1.
What is the InChIKey of 1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol?
The InChIKey is BSUCSJFYAPUXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-10-16-11-9-15-13(16)12-14(17)7-5-3-4-6-8-14/h9,11,17H,2-8,10,12H2,1H3.
What are the key properties of 1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol?
1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 79744670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).