2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole

C18H13ClFN3 — CID 4693345

IUPAC2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole
SMILESCn1c(-c2ccc(F)cc2)cn2cc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C18H13ClFN3/c1-22-17(12-5-7-15(20)8-6-12)11-23-10-16(21-18(22)23)13-3-2-4-14(19)9-13/h2-11H,1H3
InChIKeyVKPRWSAZUNFTCL-UHFFFAOYSA-N
MW325.77 g/mol
LogP4.80
Rot. Bonds2

About 2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole

2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole (PubChem CID 4693345) has the molecular formula C18H13ClFN3 and a molecular weight of 325.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole
PubChem CID4693345
Molecular FormulaC18H13ClFN3
Molecular Weight325.77 g/mol
Exact Mass325.08
IUPAC Name2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole
SMILESCn1c(-c2ccc(F)cc2)cn2cc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C18H13ClFN3/c1-22-17(12-5-7-15(20)8-6-12)11-23-10-16(21-18(22)23)13-3-2-4-14(19)9-13/h2-11H,1H3
InChIKeyVKPRWSAZUNFTCL-UHFFFAOYSA-N
XLogP4.80
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole?
The IUPAC name of 2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole (CID 4693345) is 2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole.
What is the SMILES notation for 2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole?
The canonical SMILES for 2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole is Cn1c(-c2ccc(F)cc2)cn2cc(-c3cccc(Cl)c3)nc12.
What is the InChIKey of 2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole?
The InChIKey is VKPRWSAZUNFTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3/c1-22-17(12-5-7-15(20)8-6-12)11-23-10-16(21-18(22)23)13-3-2-4-14(19)9-13/h2-11H,1H3.
What are the key properties of 2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole?
2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole has a molecular weight of 325.77 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]imidazole is sourced from PubChem (CID 4693345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).