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

C12H12N2O2 — CID 10013545

IUPAC1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole
SMILESc1cc(C2OCCO2)cc(-n2ccnc2)c1
InChIInChI=1S/C12H12N2O2/c1-2-10(12-15-6-7-16-12)8-11(3-1)14-5-4-13-9-14/h1-5,8-9,12H,6-7H2
InChIKeyQDRPOPKDBASSCU-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.92
Rot. Bonds2

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

1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole (PubChem CID 10013545) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole.

Molecular Properties

Compound Name1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole
PubChem CID10013545
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole
SMILESc1cc(C2OCCO2)cc(-n2ccnc2)c1
InChIInChI=1S/C12H12N2O2/c1-2-10(12-15-6-7-16-12)8-11(3-1)14-5-4-13-9-14/h1-5,8-9,12H,6-7H2
InChIKeyQDRPOPKDBASSCU-UHFFFAOYSA-N
XLogP1.92
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole
CID 141434391
N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine
CID 86818574
1-(3-tert-butylphenyl)imidazole
CID 59332766
N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
CID 75428099
4-(3-imidazol-1-ylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
CID 18956972
4-(3-imidazol-1-ylanilino)cyclohexan-1-ol
CID 106593713
N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline
CID 43678392
5-imidazol-1-yl-2-benzofuran-1,3-dione
CID 174269134
1-(3-imidazol-1-ylphenyl)-1,2,4-triazole
CID 132570303
1-[3-(bromomethyl)phenyl]imidazole;hydrobromide
CID 72710327
N-[(3-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide
CID 71997551
(4S)-6,8-dichloro-4-(3-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 152763848

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole?
The IUPAC name of 1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole (CID 10013545) is 1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole.
What is the SMILES notation for 1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole?
The canonical SMILES for 1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole is c1cc(C2OCCO2)cc(-n2ccnc2)c1.
What is the InChIKey of 1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole?
The InChIKey is QDRPOPKDBASSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-10(12-15-6-7-16-12)8-11(3-1)14-5-4-13-9-14/h1-5,8-9,12H,6-7H2.
What are the key properties of 1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole?
1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole has a molecular weight of 216.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole is sourced from PubChem (CID 10013545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).