methyl 2-(1-methoxycycloheptyl)-1H-imidazole-5-carboxylate

C13H20N2O3 — CID 116777800

IUPACmethyl 2-(1-methoxycycloheptyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2(OC)CCCCCC2)[nH]1
InChIInChI=1S/C13H20N2O3/c1-17-11(16)10-9-14-12(15-10)13(18-2)7-5-3-4-6-8-13/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyIGMXOWKDZLZPKU-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.39
Rot. Bonds3

About methyl 2-(1-methoxycycloheptyl)-1H-imidazole-5-carboxylate

methyl 2-(1-methoxycycloheptyl)-1H-imidazole-5-carboxylate (PubChem CID 116777800) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 2-(1-methoxycycloheptyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-methoxycycloheptyl)-1H-imidazole-5-carboxylate
PubChem CID116777800
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Namemethyl 2-(1-methoxycycloheptyl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2(OC)CCCCCC2)[nH]1
InChIInChI=1S/C13H20N2O3/c1-17-11(16)10-9-14-12(15-10)13(18-2)7-5-3-4-6-8-13/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyIGMXOWKDZLZPKU-UHFFFAOYSA-N
XLogP2.39
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid
CID 116777785
methyl 2-(1-methoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 114213688
2-(1-methoxycycloheptyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116775156
[2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine
CID 116779739
2-(1-methoxycyclobutyl)-1H-imidazole-5-carbaldehyde
CID 116734128
1-[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 104611931
methyl 2-cycloheptyl-1H-imidazole-5-carboxylate
CID 65399999
N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 104611933
N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113432918
2-methoxy-N-[[2-(1-methoxycycloheptyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 116779879
2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid
CID 116744720
2-(1-methoxycyclohexyl)-4-methylpyrimidine-5-carboxylic acid
CID 116775071

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methoxycycloheptyl)-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-(1-methoxycycloheptyl)-1H-imidazole-5-carboxylate (CID 116777800) is methyl 2-(1-methoxycycloheptyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-methoxycycloheptyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-(1-methoxycycloheptyl)-1H-imidazole-5-carboxylate is COC(=O)c1cnc(C2(OC)CCCCCC2)[nH]1.
What is the InChIKey of methyl 2-(1-methoxycycloheptyl)-1H-imidazole-5-carboxylate?
The InChIKey is IGMXOWKDZLZPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-17-11(16)10-9-14-12(15-10)13(18-2)7-5-3-4-6-8-13/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-(1-methoxycycloheptyl)-1H-imidazole-5-carboxylate?
methyl 2-(1-methoxycycloheptyl)-1H-imidazole-5-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methoxycycloheptyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 116777800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).