1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

C123H130N14O10 — CID 167569590

IUPAC1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)Oc1ccc(-c2ccc3ncn(-c4ccc(OC(C)C)cc4)c3n2)cc1.CC(C)Oc1ccc(-c2ccc3nnn(-c4ccc(OC(C)C)cc4)c3c2)cc1.CC(C)Oc1ccc(-c2cnc3ncc(-c4ccc(OC(C)C)cc4)n3c2)cc1.Cc1cc2ncc(-c3ccc(OC(C)C)cc3)n2cc1-c1ccc(OC(C)C)cc1.Cc1cc2nnn(-c3ccc(OC(C)C)cc3)c2cc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C26H28N2O2.C25H27N3O2.3C24H25N3O2/c1-17(2)29-22-10-6-20(7-11-22)24-16-28-25(15-27-26(28)14-19(24)5)21-8-12-23(13-9-21)30-18(3)4;1-16(2)29-21-10-6-19(7-11-21)23-15-25-24(14-18(23)5)26-27-28(25)20-8-12-22(13-9-20)30-17(3)4;1-16(2)28-21-10-5-18(6-11-21)19-7-14-23-24(15-19)27(26-25-23)20-8-12-22(13-9-20)29-17(3)4;1-16(2)28-21-9-5-18(6-10-21)20-13-25-24-26-14-23(27(24)15-20)19-7-11-22(12-8-19)29-17(3)4;1-16(2)28-20-9-5-18(6-10-20)22-13-14-23-24(26-22)27(15-25-23)19-7-11-21(12-8-19)29-17(3)4/h6-18H,1-5H3;6-17H,1-5H3;3*5-17H,1-4H3
InChIKeyFSQZAXNXCPCBFQ-UHFFFAOYSA-N
MW1964.48 g/mol
LogP29.48
Rot. Bonds30

About 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 167569590) has the molecular formula C123H130N14O10 and a molecular weight of 1964.48 g/mol. Its IUPAC name is 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
PubChem CID167569590
Molecular FormulaC123H130N14O10
Molecular Weight1964.48 g/mol
Exact Mass1963.01
IUPAC Name1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)Oc1ccc(-c2ccc3ncn(-c4ccc(OC(C)C)cc4)c3n2)cc1.CC(C)Oc1ccc(-c2ccc3nnn(-c4ccc(OC(C)C)cc4)c3c2)cc1.CC(C)Oc1ccc(-c2cnc3ncc(-c4ccc(OC(C)C)cc4)n3c2)cc1.Cc1cc2ncc(-c3ccc(OC(C)C)cc3)n2cc1-c1ccc(OC(C)C)cc1.Cc1cc2nnn(-c3ccc(OC(C)C)cc3)c2cc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C26H28N2O2.C25H27N3O2.3C24H25N3O2/c1-17(2)29-22-10-6-20(7-11-22)24-16-28-25(15-27-26(28)14-19(24)5)21-8-12-23(13-9-21)30-18(3)4;1-16(2)29-21-10-6-19(7-11-21)23-15-25-24(14-18(23)5)26-27-28(25)20-8-12-22(13-9-20)30-17(3)4;1-16(2)28-21-10-5-18(6-11-21)19-7-14-23-24(15-19)27(26-25-23)20-8-12-22(13-9-20)29-17(3)4;1-16(2)28-21-9-5-18(6-10-21)20-13-25-24-26-14-23(27(24)15-20)19-7-11-22(12-8-19)29-17(3)4;1-16(2)28-20-9-5-18(6-10-20)22-13-14-23-24(26-22)27(15-25-23)19-7-11-21(12-8-19)29-17(3)4/h6-18H,1-5H3;6-17H,1-5H3;3*5-17H,1-4H3
InChIKeyFSQZAXNXCPCBFQ-UHFFFAOYSA-N
XLogP29.48
TPSA231.92 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001964.48
LogP ≤ 529.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (CID 167569590) is 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is CC(C)Oc1ccc(-c2ccc3ncn(-c4ccc(OC(C)C)cc4)c3n2)cc1.CC(C)Oc1ccc(-c2ccc3nnn(-c4ccc(OC(C)C)cc4)c3c2)cc1.CC(C)Oc1ccc(-c2cnc3ncc(-c4ccc(OC(C)C)cc4)n3c2)cc1.Cc1cc2ncc(-c3ccc(OC(C)C)cc3)n2cc1-c1ccc(OC(C)C)cc1.Cc1cc2nnn(-c3ccc(OC(C)C)cc3)c2cc1-c1ccc(OC(C)C)cc1.
What is the InChIKey of 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is FSQZAXNXCPCBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2.C25H27N3O2.3C24H25N3O2/c1-17(2)29-22-10-6-20(7-11-22)24-16-28-25(15-27-26(28)14-19(24)5)21-8-12-23(13-9-21)30-18(3)4;1-16(2)29-21-10-6-19(7-11-21)23-15-25-24(14-18(23)5)26-27-28(25)20-8-12-22(13-9-20)30-17(3)4;1-16(2)28-21-10-5-18(6-11-21)19-7-14-23-24(15-19)27(26-25-23)20-8-12-22(13-9-20)29-17(3)4;1-16(2)28-21-9-5-18(6-10-21)20-13-25-24-26-14-23(27(24)15-20)19-7-11-22(12-8-19)29-17(3)4;1-16(2)28-20-9-5-18(6-10-20)22-13-14-23-24(26-22)27(15-25-23)19-7-11-21(12-8-19)29-17(3)4/h6-18H,1-5H3;6-17H,1-5H3;3*5-17H,1-4H3.
What are the key properties of 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 1964.48 g/mol, XLogP of 29.48, 30 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine;5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzotriazole;7-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 167569590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).