1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole

C12H11ClN2O2 — CID 141434391

IUPAC1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole
SMILESClc1cc(C2OCCO2)ccc1-n1ccnc1
InChIInChI=1S/C12H11ClN2O2/c13-10-7-9(12-16-5-6-17-12)1-2-11(10)15-4-3-14-8-15/h1-4,7-8,12H,5-6H2
InChIKeyQJIIWLFEAOMFMK-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.57
Rot. Bonds2

About 1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole

1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole (PubChem CID 141434391) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole.

Molecular Properties

Compound Name1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole
PubChem CID141434391
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole
SMILESClc1cc(C2OCCO2)ccc1-n1ccnc1
InChIInChI=1S/C12H11ClN2O2/c13-10-7-9(12-16-5-6-17-12)1-2-11(10)15-4-3-14-8-15/h1-4,7-8,12H,5-6H2
InChIKeyQJIIWLFEAOMFMK-UHFFFAOYSA-N
XLogP2.57
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole
CID 10013545
3-chloro-4-imidazol-1-ylbenzaldehyde
CID 23629424
2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol
CID 117345846
1-[2-chloro-4-(isocyanatomethyl)phenyl]imidazole
CID 117339560
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole
CID 70471993
4-chloro-5-imidazol-1-ylbenzene-1,2-diamine
CID 10081805
2-[(3-chloro-4-imidazol-1-ylphenyl)hydrazinylidene]propanedinitrile
CID 169338632
N-(3-chloro-4-imidazol-1-ylphenyl)-6-hydroxy-1,4-oxazepane-4-carboxamide
CID 72863903
5-[(3-chloro-4-imidazol-1-ylanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537763
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181
ethyl 6-amino-4-(3-chloro-4-imidazol-1-ylphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 169390987
N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 114854126

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole?
The IUPAC name of 1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole (CID 141434391) is 1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole.
What is the SMILES notation for 1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole?
The canonical SMILES for 1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole is Clc1cc(C2OCCO2)ccc1-n1ccnc1.
What is the InChIKey of 1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole?
The InChIKey is QJIIWLFEAOMFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-10-7-9(12-16-5-6-17-12)1-2-11(10)15-4-3-14-8-15/h1-4,7-8,12H,5-6H2.
What are the key properties of 1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole?
1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole has a molecular weight of 250.69 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole is sourced from PubChem (CID 141434391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).