1-(cyclopropylmethyl)-2-ethylimidazole

C9H14N2 — CID 63811309

IUPAC1-(cyclopropylmethyl)-2-ethylimidazole
SMILESCCc1nccn1CC1CC1
InChIInChI=1S/C9H14N2/c1-2-9-10-5-6-11(9)7-8-3-4-8/h5-6,8H,2-4,7H2,1H3
InChIKeyQNCDEPSMPSLIBT-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.86
Rot. Bonds3

About 1-(cyclopropylmethyl)-2-ethylimidazole

1-(cyclopropylmethyl)-2-ethylimidazole (PubChem CID 63811309) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-ethylimidazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-ethylimidazole
PubChem CID63811309
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-(cyclopropylmethyl)-2-ethylimidazole
SMILESCCc1nccn1CC1CC1
InChIInChI=1S/C9H14N2/c1-2-9-10-5-6-11(9)7-8-3-4-8/h5-6,8H,2-4,7H2,1H3
InChIKeyQNCDEPSMPSLIBT-UHFFFAOYSA-N
XLogP1.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride
CID 169424334
2-ethyl-1-(oxiran-2-ylmethyl)imidazole
CID 61404960
1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-propylpentan-1-one
CID 90492731
cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492732
2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492733
N-cyclopropyl-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494026
(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492756
N-cyclohexyl-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90493994
4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 90494064
4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine
CID 90494036
2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione
CID 90494027
4-[(2-ethylimidazol-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 90494143

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-ethylimidazole?
The IUPAC name of 1-(cyclopropylmethyl)-2-ethylimidazole (CID 63811309) is 1-(cyclopropylmethyl)-2-ethylimidazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-ethylimidazole?
The canonical SMILES for 1-(cyclopropylmethyl)-2-ethylimidazole is CCc1nccn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-ethylimidazole?
The InChIKey is QNCDEPSMPSLIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-9-10-5-6-11(9)7-8-3-4-8/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-2-ethylimidazole?
1-(cyclopropylmethyl)-2-ethylimidazole has a molecular weight of 150.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-ethylimidazole is sourced from PubChem (CID 63811309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).