(4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine

C113H115Cl2N5O6S — CID 158078130

IUPAC(4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)Cc1nc(-c2ccccc2)c(-c2ccccc2)o1.CC(C)c1ccc(-c2cn3ccccc3n2)cc1.CC(C)c1ccc(C(=O)c2ccccc2)s1.CC(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.CC(C)c1cccc(Oc2ccccc2)c1.COc1ccc2c(c1)c(C(C)C)c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2cc(C(C)C)ccc2c1
InChIInChI=1S/C20H20ClNO2.C19H19NO.C16H16N2.C15H14ClN.C15H16O.C14H14OS.C14H16O/c1-12(2)19-13(3)22(18-10-9-16(24-4)11-17(18)19)20(23)14-5-7-15(21)8-6-14;1-14(2)13-17-20-18(15-9-5-3-6-10-15)19(21-17)16-11-7-4-8-12-16;1-12(2)13-6-8-14(9-7-13)15-11-18-10-4-3-5-16(18)17-15;1-9(2)10-3-5-12-13-8-11(16)4-6-14(13)17-15(12)7-10;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-10(2)12-8-9-13(16-12)14(15)11-6-4-3-5-7-11;1-10(2)11-4-5-13-9-14(15-3)7-6-12(13)8-11/h5-12H,1-4H3;3-12,14H,13H2,1-2H3;3-12H,1-2H3;3-9,17H,1-2H3;3-12H,1-2H3;3-10H,1-2H3;4-10H,1-3H3
InChIKeyFMPSHVFHFFKAHK-UHFFFAOYSA-N
MW1742.16 g/mol
LogP32.53
Rot. Bonds18

About (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine

(4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine (PubChem CID 158078130) has the molecular formula C113H115Cl2N5O6S and a molecular weight of 1742.16 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
PubChem CID158078130
Molecular FormulaC113H115Cl2N5O6S
Molecular Weight1742.16 g/mol
Exact Mass1739.79
IUPAC Name(4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)Cc1nc(-c2ccccc2)c(-c2ccccc2)o1.CC(C)c1ccc(-c2cn3ccccc3n2)cc1.CC(C)c1ccc(C(=O)c2ccccc2)s1.CC(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.CC(C)c1cccc(Oc2ccccc2)c1.COc1ccc2c(c1)c(C(C)C)c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2cc(C(C)C)ccc2c1
InChIInChI=1S/C20H20ClNO2.C19H19NO.C16H16N2.C15H14ClN.C15H16O.C14H14OS.C14H16O/c1-12(2)19-13(3)22(18-10-9-16(24-4)11-17(18)19)20(23)14-5-7-15(21)8-6-14;1-14(2)13-17-20-18(15-9-5-3-6-10-15)19(21-17)16-11-7-4-8-12-16;1-12(2)13-6-8-14(9-7-13)15-11-18-10-4-3-5-16(18)17-15;1-9(2)10-3-5-12-13-8-11(16)4-6-14(13)17-15(12)7-10;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-10(2)12-8-9-13(16-12)14(15)11-6-4-3-5-7-11;1-10(2)11-4-5-13-9-14(15-3)7-6-12(13)8-11/h5-12H,1-4H3;3-12,14H,13H2,1-2H3;3-12H,1-2H3;3-9,17H,1-2H3;3-12H,1-2H3;3-10H,1-2H3;4-10H,1-3H3
InChIKeyFMPSHVFHFFKAHK-UHFFFAOYSA-N
XLogP32.53
TPSA125.88 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001742.16
LogP ≤ 532.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine (CID 158078130) is (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine is CC(C)Cc1nc(-c2ccccc2)c(-c2ccccc2)o1.CC(C)c1ccc(-c2cn3ccccc3n2)cc1.CC(C)c1ccc(C(=O)c2ccccc2)s1.CC(C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.CC(C)c1cccc(Oc2ccccc2)c1.COc1ccc2c(c1)c(C(C)C)c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2cc(C(C)C)ccc2c1.
What is the InChIKey of (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is FMPSHVFHFFKAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2.C19H19NO.C16H16N2.C15H14ClN.C15H16O.C14H14OS.C14H16O/c1-12(2)19-13(3)22(18-10-9-16(24-4)11-17(18)19)20(23)14-5-7-15(21)8-6-14;1-14(2)13-17-20-18(15-9-5-3-6-10-15)19(21-17)16-11-7-4-8-12-16;1-12(2)13-6-8-14(9-7-13)15-11-18-10-4-3-5-16(18)17-15;1-9(2)10-3-5-12-13-8-11(16)4-6-14(13)17-15(12)7-10;1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;1-10(2)12-8-9-13(16-12)14(15)11-6-4-3-5-7-11;1-10(2)11-4-5-13-9-14(15-3)7-6-12(13)8-11/h5-12H,1-4H3;3-12,14H,13H2,1-2H3;3-12H,1-2H3;3-9,17H,1-2H3;3-12H,1-2H3;3-10H,1-2H3;4-10H,1-3H3.
What are the key properties of (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine?
(4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 1742.16 g/mol, XLogP of 32.53, 18 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-methoxy-2-methyl-3-propan-2-ylindol-1-yl)methanone;6-chloro-2-propan-2-yl-9H-carbazole;2-methoxy-6-propan-2-ylnaphthalene;2-(2-methylpropyl)-4,5-diphenyl-1,3-oxazole;1-phenoxy-3-propan-2-ylbenzene;phenyl-(5-propan-2-ylthiophen-2-yl)methanone;2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 158078130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).