1-(6-chloro-2H-chromen-3-yl)imidazole

C12H9ClN2O — CID 13287815

IUPAC1-(6-chloro-2H-chromen-3-yl)imidazole
SMILESClc1ccc2c(c1)C=C(n1ccnc1)CO2
InChIInChI=1S/C12H9ClN2O/c13-10-1-2-12-9(5-10)6-11(7-16-12)15-4-3-14-8-15/h1-6,8H,7H2
InChIKeyVRPFRBMPFHPSSX-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.93
Rot. Bonds1

About 1-(6-chloro-2H-chromen-3-yl)imidazole

1-(6-chloro-2H-chromen-3-yl)imidazole (PubChem CID 13287815) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 1-(6-chloro-2H-chromen-3-yl)imidazole.

Molecular Properties

Compound Name1-(6-chloro-2H-chromen-3-yl)imidazole
PubChem CID13287815
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name1-(6-chloro-2H-chromen-3-yl)imidazole
SMILESClc1ccc2c(c1)C=C(n1ccnc1)CO2
InChIInChI=1S/C12H9ClN2O/c13-10-1-2-12-9(5-10)6-11(7-16-12)15-4-3-14-8-15/h1-6,8H,7H2
InChIKeyVRPFRBMPFHPSSX-UHFFFAOYSA-N
XLogP2.93
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6-chloro-2H-chromen-3-yl)imidazole with MolForge

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

Launch Full Analysis

Related Compounds

Omoconazole
CID 3033988
Croconazole
CID 2880
2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide
CID 3310979
1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-[2-(2-Methylphenoxy)ethyl]imidazole
CID 868346
Imidazole, 1-[2-(2,4,6-trimethylphenoxy)ethyl]-
CID 565898
2H-1-Benzopyran-2-one, 4-(2-(1H-imidazol-1-yl)ethoxy)-
CID 11311402
1-[2-(2,3-dimethylphenoxy)ethyl]-1H-imidazole
CID 868561
1-[2-(2-Chloro-phenoxy)-ethyl]-2-methyl-1H-imidazole
CID 1111665
1-[2-(2-allyl-4-chlorophenoxy)ethyl]-1H-imidazole oxalate
CID 2923479
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-1H-imidazole
CID 2853604
1-[6-(4-Chloro-3,5-dimethylphenoxy)hexyl]imidazole
CID 2853905

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2H-chromen-3-yl)imidazole?
The IUPAC name of 1-(6-chloro-2H-chromen-3-yl)imidazole (CID 13287815) is 1-(6-chloro-2H-chromen-3-yl)imidazole.
What is the SMILES notation for 1-(6-chloro-2H-chromen-3-yl)imidazole?
The canonical SMILES for 1-(6-chloro-2H-chromen-3-yl)imidazole is Clc1ccc2c(c1)C=C(n1ccnc1)CO2.
What is the InChIKey of 1-(6-chloro-2H-chromen-3-yl)imidazole?
The InChIKey is VRPFRBMPFHPSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-10-1-2-12-9(5-10)6-11(7-16-12)15-4-3-14-8-15/h1-6,8H,7H2.
What are the key properties of 1-(6-chloro-2H-chromen-3-yl)imidazole?
1-(6-chloro-2H-chromen-3-yl)imidazole has a molecular weight of 232.67 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2H-chromen-3-yl)imidazole is sourced from PubChem (CID 13287815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).