2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile

C91H104Cl3N9O7 — CID 157403434

IUPAC2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile
SMILESCC(C)c1ccc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cc1.CC(C)c1cnc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)nc1.CC(C)c1cnc(C2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)n1C.CCc1cc(OC2CCC(CC(=O)c3ccc(C(C)C)nc3)CC2)ccc1C#N
InChIInChI=1S/C25H30N2O2.C24H26ClNO2.C22H24ClN3O2.C20H24ClN3O/c1-4-19-14-23(11-7-20(19)15-26)29-22-9-5-18(6-10-22)13-25(28)21-8-12-24(17(2)3)27-16-21;1-16(2)18-5-7-19(8-6-18)24(27)13-17-3-10-21(11-4-17)28-22-12-9-20(15-26)23(25)14-22;1-14(2)17-12-25-22(26-13-17)21(27)9-15-3-6-18(7-4-15)28-19-8-5-16(11-24)20(23)10-19;1-13(2)19-12-23-20(24(19)3)14-4-7-16(8-5-14)25-17-9-6-15(11-22)18(21)10-17/h7-8,11-12,14,16-18,22H,4-6,9-10,13H2,1-3H3;5-9,12,14,16-17,21H,3-4,10-11,13H2,1-2H3;5,8,10,12-15,18H,3-4,6-7,9H2,1-2H3;6,9-10,12-14,16H,4-5,7-8H2,1-3H3
InChIKeyBNLBNZPGNSYLHS-UHFFFAOYSA-N
MW1542.25 g/mol
LogP22.90
Rot. Bonds23

About 2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile

2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile (PubChem CID 157403434) has the molecular formula C91H104Cl3N9O7 and a molecular weight of 1542.25 g/mol. Its IUPAC name is 2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile.

Molecular Properties

Compound Name2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile
PubChem CID157403434
Molecular FormulaC91H104Cl3N9O7
Molecular Weight1542.25 g/mol
Exact Mass1539.71
IUPAC Name2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile
SMILESCC(C)c1ccc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cc1.CC(C)c1cnc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)nc1.CC(C)c1cnc(C2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)n1C.CCc1cc(OC2CCC(CC(=O)c3ccc(C(C)C)nc3)CC2)ccc1C#N
InChIInChI=1S/C25H30N2O2.C24H26ClNO2.C22H24ClN3O2.C20H24ClN3O/c1-4-19-14-23(11-7-20(19)15-26)29-22-9-5-18(6-10-22)13-25(28)21-8-12-24(17(2)3)27-16-21;1-16(2)18-5-7-19(8-6-18)24(27)13-17-3-10-21(11-4-17)28-22-12-9-20(15-26)23(25)14-22;1-14(2)17-12-25-22(26-13-17)21(27)9-15-3-6-18(7-4-15)28-19-8-5-16(11-24)20(23)10-19;1-13(2)19-12-23-20(24(19)3)14-4-7-16(8-5-14)25-17-9-6-15(11-22)18(21)10-17/h7-8,11-12,14,16-18,22H,4-6,9-10,13H2,1-3H3;5-9,12,14,16-17,21H,3-4,10-11,13H2,1-2H3;5,8,10,12-15,18H,3-4,6-7,9H2,1-2H3;6,9-10,12-14,16H,4-5,7-8H2,1-3H3
InChIKeyBNLBNZPGNSYLHS-UHFFFAOYSA-N
XLogP22.90
TPSA239.78 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001542.25
LogP ≤ 522.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile?
The IUPAC name of 2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile (CID 157403434) is 2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile.
What is the SMILES notation for 2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile?
The canonical SMILES for 2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile is CC(C)c1ccc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cc1.CC(C)c1cnc(C(=O)CC2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)nc1.CC(C)c1cnc(C2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)n1C.CCc1cc(OC2CCC(CC(=O)c3ccc(C(C)C)nc3)CC2)ccc1C#N.
What is the InChIKey of 2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile?
The InChIKey is BNLBNZPGNSYLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2.C24H26ClNO2.C22H24ClN3O2.C20H24ClN3O/c1-4-19-14-23(11-7-20(19)15-26)29-22-9-5-18(6-10-22)13-25(28)21-8-12-24(17(2)3)27-16-21;1-16(2)18-5-7-19(8-6-18)24(27)13-17-3-10-21(11-4-17)28-22-12-9-20(15-26)23(25)14-22;1-14(2)17-12-25-22(26-13-17)21(27)9-15-3-6-18(7-4-15)28-19-8-5-16(11-24)20(23)10-19;1-13(2)19-12-23-20(24(19)3)14-4-7-16(8-5-14)25-17-9-6-15(11-22)18(21)10-17/h7-8,11-12,14,16-18,22H,4-6,9-10,13H2,1-3H3;5-9,12,14,16-17,21H,3-4,10-11,13H2,1-2H3;5,8,10,12-15,18H,3-4,6-7,9H2,1-2H3;6,9-10,12-14,16H,4-5,7-8H2,1-3H3.
What are the key properties of 2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile?
2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile has a molecular weight of 1542.25 g/mol, XLogP of 22.90, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(1-methyl-5-propan-2-ylimidazol-2-yl)cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]cyclohexyl]oxybenzonitrile;2-chloro-4-[4-[2-oxo-2-(5-propan-2-ylpyrimidin-2-yl)ethyl]cyclohexyl]oxybenzonitrile;2-ethyl-4-[4-[2-oxo-2-(6-propan-2-yl-3-pyridinyl)ethyl]cyclohexyl]oxybenzonitrile is sourced from PubChem (CID 157403434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).