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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Related Compounds

2-(3-chlorophenyl)-6-(3,4-dimethylphenyl)-7-methylimidazo[1,2-a]imidazole
CID 3912413
2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole
CID 3438113
2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-amine
CID 67388301
6-[4-(3-chlorophenyl)-2-methylimidazol-1-yl]-1-methylpyridin-2-one
CID 70804764
2-(3-chlorophenyl)imidazo[2,1-a]isoquinoline
CID 13156067
6-(3-chlorophenyl)-2-(3-fluorophenyl)-1-methylimidazo[4,5-c]pyridine
CID 155561809
2-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid
CID 103097572
2-chloro-5-(3-chlorophenyl)-1-methylimidazole
CID 117259913
1-benzyl-4-(3-chlorophenyl)-2-(4-chlorophenyl)imidazole
CID 163216978
5-bromo-3-(3-chlorophenyl)-1-methylpyrazole
CID 84713065
3-[(3-chlorophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-methyl-1,2,4-triazole
CID 2103565
2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one
CID 118631248

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).