7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine

C27H29F3N4O — CID 166476178

IUPAC7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine
SMILESCc1c([C@@H](C)/N=c2\nc3n(c4ccc(OCC5CC6CC5C6)cc24)CCN3)cccc1C(F)(F)F
InChIInChI=1S/C27H29F3N4O/c1-15-21(4-3-5-23(15)27(28,29)30)16(2)32-25-22-13-20(35-14-19-12-17-10-18(19)11-17)6-7-24(22)34-9-8-31-26(34)33-25/h3-7,13,16-19H,8-12,14H2,1-2H3,(H,31,32,33)/t16-,17?,18?,19?/m1/s1
InChIKeyRXSRFERJLGEWFC-WYEIJNPQSA-N
MW482.55 g/mol
LogP5.88
Rot. Bonds5

About 7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine

7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine (PubChem CID 166476178) has the molecular formula C27H29F3N4O and a molecular weight of 482.55 g/mol. Its IUPAC name is 7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine.

Molecular Properties

Compound Name7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine
PubChem CID166476178
Molecular FormulaC27H29F3N4O
Molecular Weight482.55 g/mol
Exact Mass482.23
IUPAC Name7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine
SMILESCc1c([C@@H](C)/N=c2\nc3n(c4ccc(OCC5CC6CC5C6)cc24)CCN3)cccc1C(F)(F)F
InChIInChI=1S/C27H29F3N4O/c1-15-21(4-3-5-23(15)27(28,29)30)16(2)32-25-22-13-20(35-14-19-12-17-10-18(19)11-17)6-7-24(22)34-9-8-31-26(34)33-25/h3-7,13,16-19H,8-12,14H2,1-2H3,(H,31,32,33)/t16-,17?,18?,19?/m1/s1
InChIKeyRXSRFERJLGEWFC-WYEIJNPQSA-N
XLogP5.88
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine?
The IUPAC name of 7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine (CID 166476178) is 7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine.
What is the SMILES notation for 7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine?
The canonical SMILES for 7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine is Cc1c([C@@H](C)/N=c2\nc3n(c4ccc(OCC5CC6CC5C6)cc24)CCN3)cccc1C(F)(F)F.
What is the InChIKey of 7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine?
The InChIKey is RXSRFERJLGEWFC-WYEIJNPQSA-N. The full InChI is InChI=1S/C27H29F3N4O/c1-15-21(4-3-5-23(15)27(28,29)30)16(2)32-25-22-13-20(35-14-19-12-17-10-18(19)11-17)6-7-24(22)34-9-8-31-26(34)33-25/h3-7,13,16-19H,8-12,14H2,1-2H3,(H,31,32,33)/t16-,17?,18?,19?/m1/s1.
What are the key properties of 7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine?
7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine has a molecular weight of 482.55 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bicyclo[2.1.1]hexanylmethoxy)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine is sourced from PubChem (CID 166476178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).