1-(azetidin-3-ylmethyl)-2-methylimidazole

C8H13N3 — CID 91812453

IUPAC1-(azetidin-3-ylmethyl)-2-methylimidazole
SMILESCc1nccn1CC1CNC1
InChIInChI=1S/C8H13N3/c1-7-10-2-3-11(7)6-8-4-9-5-8/h2-3,8-9H,4-6H2,1H3
InChIKeyXUNTVQSCTHYEHF-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.41
Rot. Bonds2

About 1-(azetidin-3-ylmethyl)-2-methylimidazole

1-(azetidin-3-ylmethyl)-2-methylimidazole (PubChem CID 91812453) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-2-methylimidazole.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-2-methylimidazole
PubChem CID91812453
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-(azetidin-3-ylmethyl)-2-methylimidazole
SMILESCc1nccn1CC1CNC1
InChIInChI=1S/C8H13N3/c1-7-10-2-3-11(7)6-8-4-9-5-8/h2-3,8-9H,4-6H2,1H3
InChIKeyXUNTVQSCTHYEHF-UHFFFAOYSA-N
XLogP0.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-amine
CID 66183472
(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbaldehyde
CID 142002069
1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole
CID 155942481
1-(azetidin-3-yl)-2-methylimidazole;dihydrochloride
CID 91812177
tert-butyl 3-[(2-methylimidazol-1-yl)methyl]azetidine-1-carboxylate
CID 154882833
(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride
CID 169424334
alumane;1-ethyl-2-methylimidazole;dihydrochloride
CID 173131459
4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine
CID 77084505
N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106639131
N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494748
8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61493403
1-[(2,2-difluorocyclopentyl)methyl]-2-methylimidazole
CID 131020982

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-2-methylimidazole?
The IUPAC name of 1-(azetidin-3-ylmethyl)-2-methylimidazole (CID 91812453) is 1-(azetidin-3-ylmethyl)-2-methylimidazole.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-2-methylimidazole?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-2-methylimidazole is Cc1nccn1CC1CNC1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-2-methylimidazole?
The InChIKey is XUNTVQSCTHYEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-7-10-2-3-11(7)6-8-4-9-5-8/h2-3,8-9H,4-6H2,1H3.
What are the key properties of 1-(azetidin-3-ylmethyl)-2-methylimidazole?
1-(azetidin-3-ylmethyl)-2-methylimidazole has a molecular weight of 151.21 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-2-methylimidazole is sourced from PubChem (CID 91812453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).