2-(1H-imidazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazole

C11H14N4O — CID 70762846

IUPAC2-(1H-imidazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazole
SMILESc1cn(C[C@@H]2CCCO2)c(-c2cnc[nH]2)n1
InChIInChI=1S/C11H14N4O/c1-2-9(16-5-1)7-15-4-3-13-11(15)10-6-12-8-14-10/h3-4,6,8-9H,1-2,5,7H2,(H,12,14)/t9-/m0/s1
InChIKeyZMQWMFXWUUGMET-VIFPVBQESA-N
MW218.26 g/mol
LogP1.45
Rot. Bonds3

About 2-(1H-imidazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazole

2-(1H-imidazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazole (PubChem CID 70762846) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazole
PubChem CID70762846
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(1H-imidazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazole
SMILESc1cn(C[C@@H]2CCCO2)c(-c2cnc[nH]2)n1
InChIInChI=1S/C11H14N4O/c1-2-9(16-5-1)7-15-4-3-13-11(15)10-6-12-8-14-10/h3-4,6,8-9H,1-2,5,7H2,(H,12,14)/t9-/m0/s1
InChIKeyZMQWMFXWUUGMET-VIFPVBQESA-N
XLogP1.45
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazole?
The IUPAC name of 2-(1H-imidazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazole (CID 70762846) is 2-(1H-imidazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazole.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazole?
The canonical SMILES for 2-(1H-imidazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazole is c1cn(C[C@@H]2CCCO2)c(-c2cnc[nH]2)n1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazole?
The InChIKey is ZMQWMFXWUUGMET-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-9(16-5-1)7-15-4-3-13-11(15)10-6-12-8-14-10/h3-4,6,8-9H,1-2,5,7H2,(H,12,14)/t9-/m0/s1.
What are the key properties of 2-(1H-imidazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazole?
2-(1H-imidazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazole has a molecular weight of 218.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-1-[[(2S)-oxolan-2-yl]methyl]imidazole is sourced from PubChem (CID 70762846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).