2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole

C8H12N2O2 — CID 125455900

IUPAC2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole
SMILESCC1(Cc2ncc[nH]2)OCCO1
InChIInChI=1S/C8H12N2O2/c1-8(11-4-5-12-8)6-7-9-2-3-10-7/h2-3H,4-6H2,1H3,(H,9,10)
InChIKeyLIAAIOMJCMXDMY-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.72
Rot. Bonds2

About 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole

2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole (PubChem CID 125455900) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole
PubChem CID125455900
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole
SMILESCC1(Cc2ncc[nH]2)OCCO1
InChIInChI=1S/C8H12N2O2/c1-8(11-4-5-12-8)6-7-9-2-3-10-7/h2-3H,4-6H2,1H3,(H,9,10)
InChIKeyLIAAIOMJCMXDMY-UHFFFAOYSA-N
XLogP0.72
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylsulfanylmethyl)-1H-imidazole
CID 126997669
7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130863312
ethane;2-ethyl-1H-imidazole
CID 144736598
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
2-ethyl-N-(1H-imidazol-2-ylmethyl)-2-methyloxan-4-amine
CID 64547429
2-ethyl-1H-imidazole;methanol
CID 176573862
N'-(1H-imidazol-2-ylmethyl)ethanimidamide
CID 64523221
N-ethyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 14627457
2-(1H-imidazol-2-yl)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 107236268
N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine
CID 59825984
N-(1H-imidazol-2-ylmethyl)-N-methylethanamine
CID 55285283
tris(1H-imidazol-2-ylmethyl)-methylazanium
CID 18690534

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole?
The IUPAC name of 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole (CID 125455900) is 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole is CC1(Cc2ncc[nH]2)OCCO1.
What is the InChIKey of 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole?
The InChIKey is LIAAIOMJCMXDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(11-4-5-12-8)6-7-9-2-3-10-7/h2-3H,4-6H2,1H3,(H,9,10).
What are the key properties of 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole?
2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole has a molecular weight of 168.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1H-imidazole is sourced from PubChem (CID 125455900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).