(1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone

C13H20N2O2 — CID 116750447

IUPAC(1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone
SMILESCOC1(C(=O)c2nccn2C)CCCCCC1
InChIInChI=1S/C13H20N2O2/c1-15-10-9-14-12(15)11(16)13(17-2)7-5-3-4-6-8-13/h9-10H,3-8H2,1-2H3
InChIKeyYWBVTBULGOKZPH-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.34
Rot. Bonds3

About (1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone

(1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone (PubChem CID 116750447) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone
PubChem CID116750447
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone
SMILESCOC1(C(=O)c2nccn2C)CCCCCC1
InChIInChI=1S/C13H20N2O2/c1-15-10-9-14-12(15)11(16)13(17-2)7-5-3-4-6-8-13/h9-10H,3-8H2,1-2H3
InChIKeyYWBVTBULGOKZPH-UHFFFAOYSA-N
XLogP2.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methoxycyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 104610183
(1-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250
(1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone
CID 116706985
(1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 114972980
(1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
CID 80690249
1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone
CID 104610093
(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone
CID 131204366
(1-methoxycyclohexyl)-pyrazin-2-ylmethanone
CID 116748019
(1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone
CID 60660103
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 116748199
(2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone
CID 116748021

Frequently Asked Questions

What is the IUPAC name of (1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone (CID 116750447) is (1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone is COC1(C(=O)c2nccn2C)CCCCCC1.
What is the InChIKey of (1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is YWBVTBULGOKZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15-10-9-14-12(15)11(16)13(17-2)7-5-3-4-6-8-13/h9-10H,3-8H2,1-2H3.
What are the key properties of (1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone?
(1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 236.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 116750447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).