2-benzyl-7-(trifluoromethoxy)imidazo[1,2-c]quinazolin-5-amine

C18H13F3N4O — CID 138689468

IUPAC2-benzyl-7-(trifluoromethoxy)imidazo[1,2-c]quinazolin-5-amine
SMILESNc1nc2c(OC(F)(F)F)cccc2c2nc(Cc3ccccc3)cn12
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)26-14-8-4-7-13-15(14)24-17(22)25-10-12(23-16(13)25)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,22,24)
InChIKeyBONKKJPTTIKCCZ-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.95
Rot. Bonds3

About 2-benzyl-7-(trifluoromethoxy)imidazo[1,2-c]quinazolin-5-amine

2-benzyl-7-(trifluoromethoxy)imidazo[1,2-c]quinazolin-5-amine (PubChem CID 138689468) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-benzyl-7-(trifluoromethoxy)imidazo[1,2-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-benzyl-7-(trifluoromethoxy)imidazo[1,2-c]quinazolin-5-amine
PubChem CID138689468
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name2-benzyl-7-(trifluoromethoxy)imidazo[1,2-c]quinazolin-5-amine
SMILESNc1nc2c(OC(F)(F)F)cccc2c2nc(Cc3ccccc3)cn12
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)26-14-8-4-7-13-15(14)24-17(22)25-10-12(23-16(13)25)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,22,24)
InChIKeyBONKKJPTTIKCCZ-UHFFFAOYSA-N
XLogP3.95
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-(trifluoromethoxy)imidazo[1,2-c]quinazolin-5-amine?
The IUPAC name of 2-benzyl-7-(trifluoromethoxy)imidazo[1,2-c]quinazolin-5-amine (CID 138689468) is 2-benzyl-7-(trifluoromethoxy)imidazo[1,2-c]quinazolin-5-amine.
What is the SMILES notation for 2-benzyl-7-(trifluoromethoxy)imidazo[1,2-c]quinazolin-5-amine?
The canonical SMILES for 2-benzyl-7-(trifluoromethoxy)imidazo[1,2-c]quinazolin-5-amine is Nc1nc2c(OC(F)(F)F)cccc2c2nc(Cc3ccccc3)cn12.
What is the InChIKey of 2-benzyl-7-(trifluoromethoxy)imidazo[1,2-c]quinazolin-5-amine?
The InChIKey is BONKKJPTTIKCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-18(20,21)26-14-8-4-7-13-15(14)24-17(22)25-10-12(23-16(13)25)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,22,24).
What are the key properties of 2-benzyl-7-(trifluoromethoxy)imidazo[1,2-c]quinazolin-5-amine?
2-benzyl-7-(trifluoromethoxy)imidazo[1,2-c]quinazolin-5-amine has a molecular weight of 358.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-(trifluoromethoxy)imidazo[1,2-c]quinazolin-5-amine is sourced from PubChem (CID 138689468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).