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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).