5-tert-butyl-N-[5-tert-butyl-3-methyl-8-(trifluoromethyl)imidazo[1,2-c]quinazolin-2-yl]-3-methyl-8-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)imidazo[1,2-c]quinazolin-2-amine

C41H41F6N7 — CID 89348008

IUPAC5-tert-butyl-N-[5-tert-butyl-3-methyl-8-(trifluoromethyl)imidazo[1,2-c]quinazolin-2-yl]-3-methyl-8-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)imidazo[1,2-c]quinazolin-2-amine
SMILESCc1cc(C)c(N(c2nc3c4ccc(C(F)(F)F)cc4nc(C(C)(C)C)n3c2C)c2nc3c4ccc(C(F)(F)F)cc4nc(C(C)(C)C)n3c2C)c(C)c1
InChIInChI=1S/C41H41F6N7/c1-20-16-21(2)31(22(3)17-20)54(32-23(4)52-34(50-32)27-14-12-25(40(42,43)44)18-29(27)48-36(52)38(6,7)8)33-24(5)53-35(51-33)28-15-13-26(41(45,46)47)19-30(28)49-37(53)39(9,10)11/h12-19H,1-11H3
InChIKeyVHXGSQBBZRJOIV-UHFFFAOYSA-N
MW745.82 g/mol
LogP11.72
Rot. Bonds3

About 5-tert-butyl-N-[5-tert-butyl-3-methyl-8-(trifluoromethyl)imidazo[1,2-c]quinazolin-2-yl]-3-methyl-8-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)imidazo[1,2-c]quinazolin-2-amine

5-tert-butyl-N-[5-tert-butyl-3-methyl-8-(trifluoromethyl)imidazo[1,2-c]quinazolin-2-yl]-3-methyl-8-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)imidazo[1,2-c]quinazolin-2-amine (PubChem CID 89348008) has the molecular formula C41H41F6N7 and a molecular weight of 745.82 g/mol. Its IUPAC name is 5-tert-butyl-N-[5-tert-butyl-3-methyl-8-(trifluoromethyl)imidazo[1,2-c]quinazolin-2-yl]-3-methyl-8-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)imidazo[1,2-c]quinazolin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[5-tert-butyl-3-methyl-8-(trifluoromethyl)imidazo[1,2-c]quinazolin-2-yl]-3-methyl-8-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)imidazo[1,2-c]quinazolin-2-amine
PubChem CID89348008
Molecular FormulaC41H41F6N7
Molecular Weight745.82 g/mol
Exact Mass745.33
IUPAC Name5-tert-butyl-N-[5-tert-butyl-3-methyl-8-(trifluoromethyl)imidazo[1,2-c]quinazolin-2-yl]-3-methyl-8-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)imidazo[1,2-c]quinazolin-2-amine
SMILESCc1cc(C)c(N(c2nc3c4ccc(C(F)(F)F)cc4nc(C(C)(C)C)n3c2C)c2nc3c4ccc(C(F)(F)F)cc4nc(C(C)(C)C)n3c2C)c(C)c1
InChIInChI=1S/C41H41F6N7/c1-20-16-21(2)31(22(3)17-20)54(32-23(4)52-34(50-32)27-14-12-25(40(42,43)44)18-29(27)48-36(52)38(6,7)8)33-24(5)53-35(51-33)28-15-13-26(41(45,46)47)19-30(28)49-37(53)39(9,10)11/h12-19H,1-11H3
InChIKeyVHXGSQBBZRJOIV-UHFFFAOYSA-N
XLogP11.72
TPSA63.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.82
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[5-tert-butyl-3-methyl-8-(trifluoromethyl)imidazo[1,2-c]quinazolin-2-yl]-3-methyl-8-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)imidazo[1,2-c]quinazolin-2-amine?
The IUPAC name of 5-tert-butyl-N-[5-tert-butyl-3-methyl-8-(trifluoromethyl)imidazo[1,2-c]quinazolin-2-yl]-3-methyl-8-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)imidazo[1,2-c]quinazolin-2-amine (CID 89348008) is 5-tert-butyl-N-[5-tert-butyl-3-methyl-8-(trifluoromethyl)imidazo[1,2-c]quinazolin-2-yl]-3-methyl-8-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)imidazo[1,2-c]quinazolin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[5-tert-butyl-3-methyl-8-(trifluoromethyl)imidazo[1,2-c]quinazolin-2-yl]-3-methyl-8-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)imidazo[1,2-c]quinazolin-2-amine?
The canonical SMILES for 5-tert-butyl-N-[5-tert-butyl-3-methyl-8-(trifluoromethyl)imidazo[1,2-c]quinazolin-2-yl]-3-methyl-8-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)imidazo[1,2-c]quinazolin-2-amine is Cc1cc(C)c(N(c2nc3c4ccc(C(F)(F)F)cc4nc(C(C)(C)C)n3c2C)c2nc3c4ccc(C(F)(F)F)cc4nc(C(C)(C)C)n3c2C)c(C)c1.
What is the InChIKey of 5-tert-butyl-N-[5-tert-butyl-3-methyl-8-(trifluoromethyl)imidazo[1,2-c]quinazolin-2-yl]-3-methyl-8-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)imidazo[1,2-c]quinazolin-2-amine?
The InChIKey is VHXGSQBBZRJOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41F6N7/c1-20-16-21(2)31(22(3)17-20)54(32-23(4)52-34(50-32)27-14-12-25(40(42,43)44)18-29(27)48-36(52)38(6,7)8)33-24(5)53-35(51-33)28-15-13-26(41(45,46)47)19-30(28)49-37(53)39(9,10)11/h12-19H,1-11H3.
What are the key properties of 5-tert-butyl-N-[5-tert-butyl-3-methyl-8-(trifluoromethyl)imidazo[1,2-c]quinazolin-2-yl]-3-methyl-8-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)imidazo[1,2-c]quinazolin-2-amine?
5-tert-butyl-N-[5-tert-butyl-3-methyl-8-(trifluoromethyl)imidazo[1,2-c]quinazolin-2-yl]-3-methyl-8-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)imidazo[1,2-c]quinazolin-2-amine has a molecular weight of 745.82 g/mol, XLogP of 11.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[5-tert-butyl-3-methyl-8-(trifluoromethyl)imidazo[1,2-c]quinazolin-2-yl]-3-methyl-8-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)imidazo[1,2-c]quinazolin-2-amine is sourced from PubChem (CID 89348008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).