2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline

C27H25F3N4O — CID 151688597

IUPAC2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(OCc2ccc3c(c2)CCN(C)C3)c(-c2cccc(-c3nccn3C(F)(F)F)n2)c1
InChIInChI=1S/C27H25F3N4O/c1-18-6-9-25(35-17-19-7-8-21-16-33(2)12-10-20(21)15-19)22(14-18)23-4-3-5-24(32-23)26-31-11-13-34(26)27(28,29)30/h3-9,11,13-15H,10,12,16-17H2,1-2H3
InChIKeyRCBOJTVJLHWWTN-UHFFFAOYSA-N
MW478.52 g/mol
LogP5.96
Rot. Bonds5

About 2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline

2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 151688597) has the molecular formula C27H25F3N4O and a molecular weight of 478.52 g/mol. Its IUPAC name is 2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID151688597
Molecular FormulaC27H25F3N4O
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Name2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(OCc2ccc3c(c2)CCN(C)C3)c(-c2cccc(-c3nccn3C(F)(F)F)n2)c1
InChIInChI=1S/C27H25F3N4O/c1-18-6-9-25(35-17-19-7-8-21-16-33(2)12-10-20(21)15-19)22(14-18)23-4-3-5-24(32-23)26-31-11-13-34(26)27(28,29)30/h3-9,11,13-15H,10,12,16-17H2,1-2H3
InChIKeyRCBOJTVJLHWWTN-UHFFFAOYSA-N
XLogP5.96
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10384316
5-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10406636
7-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10429017
6-(4-Propan-2-yloxyphenyl)-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179269
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
5-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179296
3-[4-[(2-Methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179301
3,6-Bis(4-isopropoxyphenyl)imidazo[1,2-a]pyridine
CID 134179604
6-(2-Methyl-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179844
6-(3-Methyl-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179850

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline (CID 151688597) is 2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline is Cc1ccc(OCc2ccc3c(c2)CCN(C)C3)c(-c2cccc(-c3nccn3C(F)(F)F)n2)c1.
What is the InChIKey of 2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is RCBOJTVJLHWWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O/c1-18-6-9-25(35-17-19-7-8-21-16-33(2)12-10-20(21)15-19)22(14-18)23-4-3-5-24(32-23)26-31-11-13-34(26)27(28,29)30/h3-9,11,13-15H,10,12,16-17H2,1-2H3.
What are the key properties of 2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline?
2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 478.52 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[4-methyl-2-[6-[1-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]phenoxy]methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 151688597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).