2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene

C199H179N9O17S — CID 157490820

About 2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene

2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene (PubChem CID 157490820) has the molecular formula C199H179N9O17S and a molecular weight of 3000.73 g/mol. Its IUPAC name is 2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene.

Molecular Properties

• Compound Name: 2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene
• PubChem CID: 157490820
• Molecular Formula: C199H179N9O17S
• Molecular Weight: 3000.73 g/mol
• Exact Mass: 2998.31
• IUPAC Name: 2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene
• SMILES: CC=Cc1ccc(C)cc1.CNc1ccc(Nc2ccc(N=C3C=CC(=Nc4ccc(C)cc4)C=C3)cc2)cc1.COc1ccc(C(=O)c2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.COc1ccc(C(=O)c2ccc(C)cc2)cc1.COc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C)[nH]1.Cc1ccc(C)cc1.Cc1ccc(C)s1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1
• InChI: InChI=1S/C35H26O5.C28H22O4.C26H24N4.C22H18N4.C22H18O3.C21H18O3.C15H14O2.C10H12.C8H10.C6H9N.C6H8S/c1-23-3-5-24(6-4-23)33(36)25-7-9-26(10-8-25)34(37)28-13-19-31(20-14-28)40-32-21-15-29(16-22-32)35(38)27-11-17-30(39-2)18-12-27;1-19-3-5-20(6-4-19)27(29)21-7-9-22(10-8-21)28(30)23-11-13-25(14-12-23)32-26-17-15-24(31-2)16-18-26;1-19-3-5-21(6-4-19)28-23-11-13-25(14-12-23)30-26-17-15-24(16-18-26)29-22-9-7-20(27-2)8-10-22;1-13-4-3-5-17(10-13)22-25-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)24-14(2)23-18;1-15-3-5-16(6-4-15)21(23)17-7-9-18(10-8-17)22(24)19-11-13-20(25-2)14-12-19;1-15-3-5-16(6-4-15)21(22)17-7-9-19(10-8-17)24-20-13-11-18(23-2)12-14-20;1-11-3-5-12(6-4-11)15(16)13-7-9-14(17-2)10-8-13;1-3-4-10-7-5-9(2)6-8-10;1-7-3-5-8(2)6-4-7;2*1-5-3-4-6(2)7-5/h3-22H,1-2H3;3-18H,1-2H3;3-18,27,29H,1-2H3;3-12H,1-2H3,(H,23,24)(H,25,26);3-14H,1-2H3;3-14H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;3-4,7H,1-2H3;3-4H,1-2H3/b;;28-23-,30-25+
• InChIKey: IMXSSQAPZMPFMY-JSRWELIESA-N
• XLogP: 47.94
• TPSA: 349.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3000.73
LogP ≤ 5	47.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene?

The IUPAC name of 2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene (CID 157490820) is 2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene.

What is the SMILES notation for 2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene?

The canonical SMILES for 2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene is CC=Cc1ccc(C)cc1.CNc1ccc(Nc2ccc(N=C3C=CC(=Nc4ccc(C)cc4)C=C3)cc2)cc1.COc1ccc(C(=O)c2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.COc1ccc(C(=O)c2ccc(C)cc2)cc1.COc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C)[nH]1.Cc1ccc(C)cc1.Cc1ccc(C)s1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1.

What is the InChIKey of 2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene?

The InChIKey is IMXSSQAPZMPFMY-JSRWELIESA-N. The full InChI is InChI=1S/C35H26O5.C28H22O4.C26H24N4.C22H18N4.C22H18O3.C21H18O3.C15H14O2.C10H12.C8H10.C6H9N.C6H8S/c1-23-3-5-24(6-4-23)33(36)25-7-9-26(10-8-25)34(37)28-13-19-31(20-14-28)40-32-21-15-29(16-22-32)35(38)27-11-17-30(39-2)18-12-27;1-19-3-5-20(6-4-19)27(29)21-7-9-22(10-8-21)28(30)23-11-13-25(14-12-23)32-26-17-15-24(31-2)16-18-26;1-19-3-5-21(6-4-19)28-23-11-13-25(14-12-23)30-26-17-15-24(16-18-26)29-22-9-7-20(27-2)8-10-22;1-13-4-3-5-17(10-13)22-25-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)24-14(2)23-18;1-15-3-5-16(6-4-15)21(23)17-7-9-18(10-8-17)22(24)19-11-13-20(25-2)14-12-19;1-15-3-5-16(6-4-15)21(22)17-7-9-19(10-8-17)24-20-13-11-18(23-2)12-14-20;1-11-3-5-12(6-4-11)15(16)13-7-9-14(17-2)10-8-13;1-3-4-10-7-5-9(2)6-8-10;1-7-3-5-8(2)6-4-7;2*1-5-3-4-6(2)7-5/h3-22H,1-2H3;3-18H,1-2H3;3-18,27,29H,1-2H3;3-12H,1-2H3,(H,23,24)(H,25,26);3-14H,1-2H3;3-14H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;3-4,7H,1-2H3;3-4H,1-2H3/b;;28-23-,30-25+;;;;;;;;.

What are the key properties of 2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene?

2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene has a molecular weight of 3000.73 g/mol, XLogP of 47.94, 37 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxybenzoyl)phenyl]-(4-methylphenyl)methanone;[4-[4-(4-methoxyphenoxy)benzoyl]phenyl]-(4-methylphenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;1-N-methyl-4-N-[4-[[4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]phenyl]benzene-1,4-diamine;1-methyl-4-prop-1-enylbenzene;1,4-xylene is sourced from PubChem (CID 157490820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).