2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole

C9H13N3 — CID 115012866

IUPAC2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole
SMILESC1Cc2nc(C3CNC3)[nH]c2C1
InChIInChI=1S/C9H13N3/c1-2-7-8(3-1)12-9(11-7)6-4-10-5-6/h6,10H,1-5H2,(H,11,12)
InChIKeyLPLXOPLNQMTFHV-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.59
Rot. Bonds1

About 2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole

2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole (PubChem CID 115012866) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole
PubChem CID115012866
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole
SMILESC1Cc2nc(C3CNC3)[nH]c2C1
InChIInChI=1S/C9H13N3/c1-2-7-8(3-1)12-9(11-7)6-4-10-5-6/h6,10H,1-5H2,(H,11,12)
InChIKeyLPLXOPLNQMTFHV-UHFFFAOYSA-N
XLogP0.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-piperidin-3-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole
CID 115018775
2-piperidin-4-yl-1,4,5,6-tetrahydrocyclopenta[d]imidazole
CID 82463423
1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-amine
CID 39101052
2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129336578
2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole
CID 141264099
2-cyclopropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477402
piperidin-3-yl(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)methanol
CID 84735315
1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine
CID 66201526
2-(azetidin-3-yl)-4,5-diphenyl-1H-imidazole
CID 102970117
2-(azetidin-3-yl)-5-cyclobutyl-4-propan-2-yl-1H-imidazole
CID 105474943
2-(azetidin-3-yl)-5-cyclopentyl-4-propan-2-yl-1H-imidazole
CID 105493632
2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129476225

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole?
The IUPAC name of 2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole (CID 115012866) is 2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole.
What is the SMILES notation for 2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole?
The canonical SMILES for 2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole is C1Cc2nc(C3CNC3)[nH]c2C1.
What is the InChIKey of 2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole?
The InChIKey is LPLXOPLNQMTFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-7-8(3-1)12-9(11-7)6-4-10-5-6/h6,10H,1-5H2,(H,11,12).
What are the key properties of 2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole?
2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole has a molecular weight of 163.22 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole is sourced from PubChem (CID 115012866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).