4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole

C23H17ClN4 — CID 10691459

IUPAC4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole
SMILESCc1nc2n(-c3ccc(Cl)cc3)c(-c3ccccc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C23H17ClN4/c1-16-25-23-27(20-14-12-19(24)13-15-20)21(17-8-4-2-5-9-17)22(28(23)26-16)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyXIERNAFIFBETJD-UHFFFAOYSA-N
MW384.87 g/mol
LogP5.82
Rot. Bonds3

About 4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole

4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole (PubChem CID 10691459) has the molecular formula C23H17ClN4 and a molecular weight of 384.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole
PubChem CID10691459
Molecular FormulaC23H17ClN4
Molecular Weight384.87 g/mol
Exact Mass384.11
IUPAC Name4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole
SMILESCc1nc2n(-c3ccc(Cl)cc3)c(-c3ccccc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C23H17ClN4/c1-16-25-23-27(20-14-12-19(24)13-15-20)21(17-8-4-2-5-9-17)22(28(23)26-16)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyXIERNAFIFBETJD-UHFFFAOYSA-N
XLogP5.82
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.87
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole
CID 11794173
5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole
CID 13163603
2-(4-chlorophenyl)-4,5-diphenyl-1,2,4-triazole-3-thione
CID 10761239
1-(4-chlorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 19353947
1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
CID 4255927
5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 86630680
1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole
CID 683196
1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole
CID 134816857
2-(4-chloroanilino)-3-(4-chlorophenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 11339207
2-(4-chlorophenyl)-1,5-diphenylpyrrole
CID 12741718
3-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-2-thione
CID 23629014
1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
CID 12674926

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole?
The IUPAC name of 4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole (CID 10691459) is 4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole is Cc1nc2n(-c3ccc(Cl)cc3)c(-c3ccccc3)c(-c3ccccc3)n2n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole?
The InChIKey is XIERNAFIFBETJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4/c1-16-25-23-27(20-14-12-19(24)13-15-20)21(17-8-4-2-5-9-17)22(28(23)26-16)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole?
4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole has a molecular weight of 384.87 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 10691459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).