5-(6-chloro-2H-chromen-4-yl)-1H-imidazole

C12H9ClN2O — CID 24739461

IUPAC5-(6-chloro-2H-chromen-4-yl)-1H-imidazole
SMILESClc1ccc2c(c1)C(c1cnc[nH]1)=CCO2
InChIInChI=1S/C12H9ClN2O/c13-8-1-2-12-10(5-8)9(3-4-16-12)11-6-14-7-15-11/h1-3,5-7H,4H2,(H,14,15)
InChIKeyIUZBOZKRIASREC-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.89
Rot. Bonds1

About 5-(6-chloro-2H-chromen-4-yl)-1H-imidazole

5-(6-chloro-2H-chromen-4-yl)-1H-imidazole (PubChem CID 24739461) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 5-(6-chloro-2H-chromen-4-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(6-chloro-2H-chromen-4-yl)-1H-imidazole
PubChem CID24739461
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name5-(6-chloro-2H-chromen-4-yl)-1H-imidazole
SMILESClc1ccc2c(c1)C(c1cnc[nH]1)=CCO2
InChIInChI=1S/C12H9ClN2O/c13-8-1-2-12-10(5-8)9(3-4-16-12)11-6-14-7-15-11/h1-3,5-7H,4H2,(H,14,15)
InChIKeyIUZBOZKRIASREC-UHFFFAOYSA-N
XLogP2.89
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2H-chromen-4-yl)-1H-imidazole?
The IUPAC name of 5-(6-chloro-2H-chromen-4-yl)-1H-imidazole (CID 24739461) is 5-(6-chloro-2H-chromen-4-yl)-1H-imidazole.
What is the SMILES notation for 5-(6-chloro-2H-chromen-4-yl)-1H-imidazole?
The canonical SMILES for 5-(6-chloro-2H-chromen-4-yl)-1H-imidazole is Clc1ccc2c(c1)C(c1cnc[nH]1)=CCO2.
What is the InChIKey of 5-(6-chloro-2H-chromen-4-yl)-1H-imidazole?
The InChIKey is IUZBOZKRIASREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-8-1-2-12-10(5-8)9(3-4-16-12)11-6-14-7-15-11/h1-3,5-7H,4H2,(H,14,15).
What are the key properties of 5-(6-chloro-2H-chromen-4-yl)-1H-imidazole?
5-(6-chloro-2H-chromen-4-yl)-1H-imidazole has a molecular weight of 232.67 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-2H-chromen-4-yl)-1H-imidazole is sourced from PubChem (CID 24739461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).