1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole

C10H17N3 — CID 130878051

IUPAC1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole
SMILESCC(C)C1CNC1c1cn(C)cn1
InChIInChI=1S/C10H17N3/c1-7(2)8-4-11-10(8)9-5-13(3)6-12-9/h5-8,10-11H,4H2,1-3H3
InChIKeyFVACRLDQMUACSW-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.34
Rot. Bonds2

About 1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole

1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole (PubChem CID 130878051) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole.

Molecular Properties

Compound Name1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole
PubChem CID130878051
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole
SMILESCC(C)C1CNC1c1cn(C)cn1
InChIInChI=1S/C10H17N3/c1-7(2)8-4-11-10(8)9-5-13(3)6-12-9/h5-8,10-11H,4H2,1-3H3
InChIKeyFVACRLDQMUACSW-UHFFFAOYSA-N
XLogP1.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(3-propan-2-ylazetidin-2-yl)-1,3-thiazole
CID 130878052
4-(2-ethylpyrrolidin-3-yl)-1-methylimidazole
CID 130599099
2-methyl-6-(1-methylimidazol-4-yl)piperidin-4-one
CID 82401919
(3R,4R)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperidine
CID 177300414
(2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol
CID 130927432
1,4-dimethylimidazole;hydrochloride
CID 146623882
ethane;1-methyl-4-phenylimidazole;3-phenylpyrrolidine
CID 157035998
2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 126985113
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
benzene;1,4-dimethylimidazole
CID 91025463
(3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one
CID 6384342
N-methyl-2-(1-methylimidazol-4-yl)oxan-4-amine
CID 130599151

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole?
The IUPAC name of 1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole (CID 130878051) is 1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole.
What is the SMILES notation for 1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole?
The canonical SMILES for 1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole is CC(C)C1CNC1c1cn(C)cn1.
What is the InChIKey of 1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole?
The InChIKey is FVACRLDQMUACSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)8-4-11-10(8)9-5-13(3)6-12-9/h5-8,10-11H,4H2,1-3H3.
What are the key properties of 1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole?
1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole has a molecular weight of 179.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-propan-2-ylazetidin-2-yl)imidazole is sourced from PubChem (CID 130878051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).