1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone

C14H22N2O2 — CID 103449553

IUPAC1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)C1(O)CCCCC1
InChIInChI=1S/C14H22N2O2/c1-2-9-16-10-8-15-13(16)11-12(17)14(18)6-4-3-5-7-14/h8,10,18H,2-7,9,11H2,1H3
InChIKeyNXMRMIKXMRILPF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.10
Rot. Bonds5

About 1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone

1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone (PubChem CID 103449553) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
PubChem CID103449553
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)C1(O)CCCCC1
InChIInChI=1S/C14H22N2O2/c1-2-9-16-10-8-15-13(16)11-12(17)14(18)6-4-3-5-7-14/h8,10,18H,2-7,9,11H2,1H3
InChIKeyNXMRMIKXMRILPF-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449747
1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 79744387
1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 116600658
1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone
CID 103450287
1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707035
2-methyl-2-[(1-propylimidazol-2-yl)methyl]azepane
CID 79761287
1-(1-aminocyclobutyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116598354
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891
1-(1-methoxycyclopentyl)-2-(1-propylimidazol-2-yl)ethanol
CID 104610436
1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone
CID 104610093

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone (CID 103449553) is 1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1CC(=O)C1(O)CCCCC1.
What is the InChIKey of 1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone?
The InChIKey is NXMRMIKXMRILPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-9-16-10-8-15-13(16)11-12(17)14(18)6-4-3-5-7-14/h8,10,18H,2-7,9,11H2,1H3.
What are the key properties of 1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone?
1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone has a molecular weight of 250.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 103449553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).