1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid

C48H49F6N7O7 — CID 160762876

IUPAC1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid
SMILESCOCC1(C(=O)O)CCC(Oc2ccc(-c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)cc2)CC1.COCC1(C(N)=O)CCC(Oc2ccc(-c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)cc2)CC1
InChIInChI=1S/C24H25F3N4O3.C24H24F3N3O4/c1-33-14-23(22(28)32)10-8-18(9-11-23)34-17-5-2-15(3-6-17)19-7-4-16(12-29-19)21-30-13-20(31-21)24(25,26)27;1-33-14-23(22(31)32)10-8-18(9-11-23)34-17-5-2-15(3-6-17)19-7-4-16(12-28-19)21-29-13-20(30-21)24(25,26)27/h2-7,12-13,18H,8-11,14H2,1H3,(H2,28,32)(H,30,31);2-7,12-13,18H,8-11,14H2,1H3,(H,29,30)(H,31,32)
InChIKeyRYHKSTOWRLSNGE-UHFFFAOYSA-N
MW949.95 g/mol
LogP9.79
Rot. Bonds14

About 1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid

1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid (PubChem CID 160762876) has the molecular formula C48H49F6N7O7 and a molecular weight of 949.95 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid
PubChem CID160762876
Molecular FormulaC48H49F6N7O7
Molecular Weight949.95 g/mol
Exact Mass949.36
IUPAC Name1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid
SMILESCOCC1(C(=O)O)CCC(Oc2ccc(-c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)cc2)CC1.COCC1(C(N)=O)CCC(Oc2ccc(-c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)cc2)CC1
InChIInChI=1S/C24H25F3N4O3.C24H24F3N3O4/c1-33-14-23(22(28)32)10-8-18(9-11-23)34-17-5-2-15(3-6-17)19-7-4-16(12-29-19)21-30-13-20(31-21)24(25,26)27;1-33-14-23(22(31)32)10-8-18(9-11-23)34-17-5-2-15(3-6-17)19-7-4-16(12-28-19)21-29-13-20(30-21)24(25,26)27/h2-7,12-13,18H,8-11,14H2,1H3,(H2,28,32)(H,30,31);2-7,12-13,18H,8-11,14H2,1H3,(H,29,30)(H,31,32)
InChIKeyRYHKSTOWRLSNGE-UHFFFAOYSA-N
XLogP9.79
TPSA200.45 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.95
LogP ≤ 59.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 71571718
4-[5-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]pyridin-2-yl]oxycyclohexane-1-carboxylic acid
CID 72164408
4-[[5-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 72164530
4-[[5-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 72164531
4-[[5-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 72164774
4-[[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 72164775
2-[4-[[5-[5-(4,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
CID 89584863
2-[4-[[5-[5-(5,6-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
CID 89584935
4-[[5-[5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 72164658
2,2-dimethyl-3-[4-[5-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]pyridin-2-yl]phenoxy]propanoic acid
CID 57383961
2,2-dimethyl-3-(4-{5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-pyridin-2-yl}phenoxy)propanoic acid
CID 57410854
2,2-dimethyl-3-(4-{5-[5-(2,2,2-trifluoro-1,1-dimethylethyl)-1H-imidazol-2-yl]pyridin-2-yl}phenoxy)propanoic acid
CID 57410855

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid (CID 160762876) is 1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid is COCC1(C(=O)O)CCC(Oc2ccc(-c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)cc2)CC1.COCC1(C(N)=O)CCC(Oc2ccc(-c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)cc2)CC1.
What is the InChIKey of 1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid?
The InChIKey is RYHKSTOWRLSNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3.C24H24F3N3O4/c1-33-14-23(22(28)32)10-8-18(9-11-23)34-17-5-2-15(3-6-17)19-7-4-16(12-29-19)21-30-13-20(31-21)24(25,26)27;1-33-14-23(22(31)32)10-8-18(9-11-23)34-17-5-2-15(3-6-17)19-7-4-16(12-28-19)21-29-13-20(30-21)24(25,26)27/h2-7,12-13,18H,8-11,14H2,1H3,(H2,28,32)(H,30,31);2-7,12-13,18H,8-11,14H2,1H3,(H,29,30)(H,31,32).
What are the key properties of 1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid?
1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid has a molecular weight of 949.95 g/mol, XLogP of 9.79, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxamide;1-(methoxymethyl)-4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 160762876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).