4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole

C8H13N3 — CID 105429604

IUPAC4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1CC1CNC1
InChIInChI=1S/C8H13N3/c1-6-8(11-5-10-6)2-7-3-9-4-7/h5,7,9H,2-4H2,1H3,(H,10,11)
InChIKeyBKTAXDPXFKPPQQ-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.48
Rot. Bonds2

About 4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole

4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole (PubChem CID 105429604) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole
PubChem CID105429604
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1CC1CNC1
InChIInChI=1S/C8H13N3/c1-6-8(11-5-10-6)2-7-3-9-4-7/h5,7,9H,2-4H2,1H3,(H,10,11)
InChIKeyBKTAXDPXFKPPQQ-UHFFFAOYSA-N
XLogP0.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-4-(2-tritiooxyethyl)-1H-imidazole
CID 59099593
2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine
CID 79452625
4-(2-methoxyethyl)-5-methyl-1H-imidazole
CID 173053461
4-heptyl-5-methyl-1H-imidazole
CID 89069470
8-[(5-methyl-1H-imidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 13276738
4-(5-methyl-1H-imidazol-4-yl)butanoic acid
CID 565590
3-(5-methyl-1H-imidazol-4-yl)propanoyl chloride
CID 87226527
1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane
CID 101485956
3-cyclopentyl-N-[3-(5-methyl-1H-imidazol-4-yl)propyl]propanamide
CID 10332981
4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole
CID 59099630
3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine
CID 118118778
2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid
CID 19766364

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole?
The IUPAC name of 4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole (CID 105429604) is 4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole.
What is the SMILES notation for 4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole?
The canonical SMILES for 4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole is Cc1[nH]cnc1CC1CNC1.
What is the InChIKey of 4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole?
The InChIKey is BKTAXDPXFKPPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-8(11-5-10-6)2-7-3-9-4-7/h5,7,9H,2-4H2,1H3,(H,10,11).
What are the key properties of 4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole?
4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole has a molecular weight of 151.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethyl)-5-methyl-1H-imidazole is sourced from PubChem (CID 105429604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).