1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone

C13H20N2O2 — CID 103450287

IUPAC1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)C1(O)CCCCCC1
InChIInChI=1S/C13H20N2O2/c1-15-9-8-14-12(15)10-11(16)13(17)6-4-2-3-5-7-13/h8-9,17H,2-7,10H2,1H3
InChIKeyMLNBGBAUHNDGPB-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.62
Rot. Bonds3

About 1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone

1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 103450287) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID103450287
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1CC(=O)C1(O)CCCCCC1
InChIInChI=1S/C13H20N2O2/c1-15-9-8-14-12(15)10-11(16)13(17)6-4-2-3-5-7-13/h8-9,17H,2-7,10H2,1H3
InChIKeyMLNBGBAUHNDGPB-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone
CID 104610093
1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
CID 103449553
1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone
CID 79744204
2-(1-ethylimidazol-2-yl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449747
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811706
methyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate
CID 75504143
1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529606
1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 60962598
1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 79744387
1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533271
1-[1-(aminomethyl)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 116600658

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone (CID 103450287) is 1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone is Cn1ccnc1CC(=O)C1(O)CCCCCC1.
What is the InChIKey of 1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is MLNBGBAUHNDGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15-9-8-14-12(15)10-11(16)13(17)6-4-2-3-5-7-13/h8-9,17H,2-7,10H2,1H3.
What are the key properties of 1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone?
1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 103450287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).