benzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole

C356H569FN30O6S2 — CID 157464945

IUPACbenzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C(C)NC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CF.CN(C)c1ncccn1.CNC(C)=O.CS(N)(=O)=O.CS(N)(=O)=O.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1noc(C)c1C.Cn1ccc2ccccc21.Cn1ccc2ccccc21.Cn1cccc1.Cn1cccn1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1cn[nH]c1
InChIInChI=1S/C10H8.2C9H9N.2C9H7N.12C9H12.2C7H6N2.4C7H8.C6H9N3.C6H9NO.C6H6.C5H7N.9C5H5N.C4H6N2.C4H9N.7C4H10.C3H4N2.C3H7NO.16C2H6.CH3F.2CH5NO2S.15CH4/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-10-7-6-8-4-2-3-5-9(8)10;2*1-2-4-9-7-10-6-5-8(9)3-1;12*1-8(2)9-6-4-3-5-7-9;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;4*1-7-5-3-2-4-6-7;1-9(2)6-7-4-3-5-8-6;1-4-5(2)7-8-6(4)3;1-2-4-6-5-3-1;1-6-4-2-3-5-6;9*1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-4(2)5-3;7*1-4(2)3;1-2-4-5-3-1;1-3(5)4-2;17*1-2;2*1-5(2,3)4;;;;;;;;;;;;;;;/h1-8H;2*2-7H,1H3;2*1-7H;12*3-8H,1-2H3;2*1-5H,(H,8,9);4*2-6H,1H3;3-5H,1-2H3;1-3H3;1-6H;2-5H,1H3;9*1-5H;2-4H,1H3;5H,1H2,2-3H3;7*4H,1-3H3;1-3H,(H,4,5);1-2H3,(H,4,5);16*1-2H3;1H3;2*1H3,(H2,2,3,4);15*1H4
InChIKeyBUJABMVVWBUBJN-UHFFFAOYSA-N
MW5448.80 g/mol
LogP108.39
Rot. Bonds14

About benzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole

benzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole (PubChem CID 157464945) has the molecular formula C356H569FN30O6S2 and a molecular weight of 5448.80 g/mol. Its IUPAC name is benzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole.

Molecular Properties

Compound Namebenzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole
PubChem CID157464945
Molecular FormulaC356H569FN30O6S2
Molecular Weight5448.80 g/mol
Exact Mass5444.46
IUPAC Namebenzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C(C)NC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CF.CN(C)c1ncccn1.CNC(C)=O.CS(N)(=O)=O.CS(N)(=O)=O.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1noc(C)c1C.Cn1ccc2ccccc21.Cn1ccc2ccccc21.Cn1cccc1.Cn1cccn1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1cn[nH]c1
InChIInChI=1S/C10H8.2C9H9N.2C9H7N.12C9H12.2C7H6N2.4C7H8.C6H9N3.C6H9NO.C6H6.C5H7N.9C5H5N.C4H6N2.C4H9N.7C4H10.C3H4N2.C3H7NO.16C2H6.CH3F.2CH5NO2S.15CH4/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-10-7-6-8-4-2-3-5-9(8)10;2*1-2-4-9-7-10-6-5-8(9)3-1;12*1-8(2)9-6-4-3-5-7-9;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;4*1-7-5-3-2-4-6-7;1-9(2)6-7-4-3-5-8-6;1-4-5(2)7-8-6(4)3;1-2-4-6-5-3-1;1-6-4-2-3-5-6;9*1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-4(2)5-3;7*1-4(2)3;1-2-4-5-3-1;1-3(5)4-2;17*1-2;2*1-5(2,3)4;;;;;;;;;;;;;;;/h1-8H;2*2-7H,1H3;2*1-7H;12*3-8H,1-2H3;2*1-5H,(H,8,9);4*2-6H,1H3;3-5H,1-2H3;1-3H3;1-6H;2-5H,1H3;9*1-5H;2-4H,1H3;5H,1H2,2-3H3;7*4H,1-3H3;1-3H,(H,4,5);1-2H3,(H,4,5);16*1-2H3;1H3;2*1H3,(H2,2,3,4);15*1H4
InChIKeyBUJABMVVWBUBJN-UHFFFAOYSA-N
XLogP108.39
TPSA476.94 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds14
Heavy Atoms395
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005448.80
LogP ≤ 5108.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze benzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole?
The IUPAC name of benzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole (CID 157464945) is benzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole.
What is the SMILES notation for benzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole?
The canonical SMILES for benzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C(C)NC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CF.CN(C)c1ncccn1.CNC(C)=O.CS(N)(=O)=O.CS(N)(=O)=O.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1noc(C)c1C.Cn1ccc2ccccc21.Cn1ccc2ccccc21.Cn1cccc1.Cn1cccn1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1cn[nH]c1.
What is the InChIKey of benzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole?
The InChIKey is BUJABMVVWBUBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C9H9N.2C9H7N.12C9H12.2C7H6N2.4C7H8.C6H9N3.C6H9NO.C6H6.C5H7N.9C5H5N.C4H6N2.C4H9N.7C4H10.C3H4N2.C3H7NO.16C2H6.CH3F.2CH5NO2S.15CH4/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-10-7-6-8-4-2-3-5-9(8)10;2*1-2-4-9-7-10-6-5-8(9)3-1;12*1-8(2)9-6-4-3-5-7-9;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;4*1-7-5-3-2-4-6-7;1-9(2)6-7-4-3-5-8-6;1-4-5(2)7-8-6(4)3;1-2-4-6-5-3-1;1-6-4-2-3-5-6;9*1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-4(2)5-3;7*1-4(2)3;1-2-4-5-3-1;1-3(5)4-2;17*1-2;2*1-5(2,3)4;;;;;;;;;;;;;;;/h1-8H;2*2-7H,1H3;2*1-7H;12*3-8H,1-2H3;2*1-5H,(H,8,9);4*2-6H,1H3;3-5H,1-2H3;1-3H3;1-6H;2-5H,1H3;9*1-5H;2-4H,1H3;5H,1H2,2-3H3;7*4H,1-3H3;1-3H,(H,4,5);1-2H3,(H,4,5);16*1-2H3;1H3;2*1H3,(H2,2,3,4);15*1H4.
What are the key properties of benzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole?
benzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole has a molecular weight of 5448.80 g/mol, XLogP of 108.39, 14 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1H-benzimidazole;cumene;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methane;methanesulfonamide;N-methylacetamide;bis(1-methylindole);heptakis(2-methylpropane);N-methylprop-1-en-2-amine;1-methylpyrazole;1-methylpyrrole;naphthalene;1H-pyrazole;nonakis(pyridine);toluene;3,4,5-trimethyl-1,2-oxazole is sourced from PubChem (CID 157464945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).