1,3-bis(4-chlorophenyl)-7a-(3-methylphenyl)-4,5,6,7-tetrahydro-3aH-benzimidazol-2-one;1,3-bis(4-chlorophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one;bis(1,3-bis(4-chlorophenyl)-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one);1-bromo-3-methylbenzene

C130H119BrCl10N10O7 — CID 157086229

About 1,3-bis(4-chlorophenyl)-7a-(3-methylphenyl)-4,5,6,7-tetrahydro-3aH-benzimidazol-2-one;1,3-bis(4-chlorophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one;bis(1,3-bis(4-chlorophenyl)-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one);1-bromo-3-methylbenzene

1,3-bis(4-chlorophenyl)-7a-(3-methylphenyl)-4,5,6,7-tetrahydro-3aH-benzimidazol-2-one;1,3-bis(4-chlorophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one;bis(1,3-bis(4-chlorophenyl)-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one);1-bromo-3-methylbenzene (PubChem CID 157086229) has the molecular formula C130H119BrCl10N10O7 and a molecular weight of 2367.88 g/mol. Its IUPAC name is 1,3-bis(4-chlorophenyl)-7a-(3-methylphenyl)-4,5,6,7-tetrahydro-3aH-benzimidazol-2-one;1,3-bis(4-chlorophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one;bis(1,3-bis(4-chlorophenyl)-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one);1-bromo-3-methylbenzene.

Molecular Properties

• Compound Name: 1,3-bis(4-chlorophenyl)-7a-(3-methylphenyl)-4,5,6,7-tetrahydro-3aH-benzimidazol-2-one;1,3-bis(4-chlorophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one;bis(1,3-bis(4-chlorophenyl)-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one);1-bromo-3-methylbenzene
• PubChem CID: 157086229
• Molecular Formula: C130H119BrCl10N10O7
• Molecular Weight: 2367.88 g/mol
• Exact Mass: 2360.53
• IUPAC Name: 1,3-bis(4-chlorophenyl)-7a-(3-methylphenyl)-4,5,6,7-tetrahydro-3aH-benzimidazol-2-one;1,3-bis(4-chlorophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one;bis(1,3-bis(4-chlorophenyl)-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one);1-bromo-3-methylbenzene
• SMILES: Cc1cccc(Br)c1.Cc1cccc(C2(O)N(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)C23CCCC3)c1.Cc1cccc(C23CCCCC2N(c2ccc(Cl)cc2)C(=O)N3c2ccc(Cl)cc2)c1.Cc1cccc(C2N(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)C23CCCC3)c1.Cc1cccc(C2N(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)C23CCCC3)c1.O=C1N(c2ccc(Cl)cc2)C(=O)C2(CCCC2)N1c1ccc(Cl)cc1
• InChI: InChI=1S/C26H24Cl2N2O2.3C26H24Cl2N2O.C19H16Cl2N2O2.C7H7Br/c1-18-5-4-6-19(17-18)26(32)25(15-2-3-16-25)29(22-11-7-20(27)8-12-22)24(31)30(26)23-13-9-21(28)10-14-23;2*1-18-5-4-6-19(17-18)24-26(15-2-3-16-26)30(23-13-9-21(28)10-14-23)25(31)29(24)22-11-7-20(27)8-12-22;1-18-5-4-6-19(17-18)26-16-3-2-7-24(26)29(22-12-8-20(27)9-13-22)25(31)30(26)23-14-10-21(28)11-15-23;20-13-3-7-15(8-4-13)22-17(24)19(11-1-2-12-19)23(18(22)25)16-9-5-14(21)6-10-16;1-6-3-2-4-7(8)5-6/h4-14,17,32H,2-3,15-16H2,1H3;2*4-14,17,24H,2-3,15-16H2,1H3;4-6,8-15,17,24H,2-3,7,16H2,1H3;3-10H,1-2,11-12H2;2-5H,1H3
• InChIKey: AECRJUWZFZJELM-UHFFFAOYSA-N
• XLogP: 38.13
• TPSA: 155.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2367.88
LogP ≤ 5	38.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-chlorophenyl)-7a-(3-methylphenyl)-4,5,6,7-tetrahydro-3aH-benzimidazol-2-one;1,3-bis(4-chlorophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one;bis(1,3-bis(4-chlorophenyl)-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one);1-bromo-3-methylbenzene?

The IUPAC name of 1,3-bis(4-chlorophenyl)-7a-(3-methylphenyl)-4,5,6,7-tetrahydro-3aH-benzimidazol-2-one;1,3-bis(4-chlorophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one;bis(1,3-bis(4-chlorophenyl)-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one);1-bromo-3-methylbenzene (CID 157086229) is 1,3-bis(4-chlorophenyl)-7a-(3-methylphenyl)-4,5,6,7-tetrahydro-3aH-benzimidazol-2-one;1,3-bis(4-chlorophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one;bis(1,3-bis(4-chlorophenyl)-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one);1-bromo-3-methylbenzene.

What is the SMILES notation for 1,3-bis(4-chlorophenyl)-7a-(3-methylphenyl)-4,5,6,7-tetrahydro-3aH-benzimidazol-2-one;1,3-bis(4-chlorophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one;bis(1,3-bis(4-chlorophenyl)-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one);1-bromo-3-methylbenzene?

The canonical SMILES for 1,3-bis(4-chlorophenyl)-7a-(3-methylphenyl)-4,5,6,7-tetrahydro-3aH-benzimidazol-2-one;1,3-bis(4-chlorophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one;bis(1,3-bis(4-chlorophenyl)-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one);1-bromo-3-methylbenzene is Cc1cccc(Br)c1.Cc1cccc(C2(O)N(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)C23CCCC3)c1.Cc1cccc(C23CCCCC2N(c2ccc(Cl)cc2)C(=O)N3c2ccc(Cl)cc2)c1.Cc1cccc(C2N(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)C23CCCC3)c1.Cc1cccc(C2N(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)C23CCCC3)c1.O=C1N(c2ccc(Cl)cc2)C(=O)C2(CCCC2)N1c1ccc(Cl)cc1.

What is the InChIKey of 1,3-bis(4-chlorophenyl)-7a-(3-methylphenyl)-4,5,6,7-tetrahydro-3aH-benzimidazol-2-one;1,3-bis(4-chlorophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one;bis(1,3-bis(4-chlorophenyl)-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one);1-bromo-3-methylbenzene?

The InChIKey is AECRJUWZFZJELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N2O2.3C26H24Cl2N2O.C19H16Cl2N2O2.C7H7Br/c1-18-5-4-6-19(17-18)26(32)25(15-2-3-16-25)29(22-11-7-20(27)8-12-22)24(31)30(26)23-13-9-21(28)10-14-23;2*1-18-5-4-6-19(17-18)24-26(15-2-3-16-26)30(23-13-9-21(28)10-14-23)25(31)29(24)22-11-7-20(27)8-12-22;1-18-5-4-6-19(17-18)26-16-3-2-7-24(26)29(22-12-8-20(27)9-13-22)25(31)30(26)23-14-10-21(28)11-15-23;20-13-3-7-15(8-4-13)22-17(24)19(11-1-2-12-19)23(18(22)25)16-9-5-14(21)6-10-16;1-6-3-2-4-7(8)5-6/h4-14,17,32H,2-3,15-16H2,1H3;2*4-14,17,24H,2-3,15-16H2,1H3;4-6,8-15,17,24H,2-3,7,16H2,1H3;3-10H,1-2,11-12H2;2-5H,1H3.

What are the key properties of 1,3-bis(4-chlorophenyl)-7a-(3-methylphenyl)-4,5,6,7-tetrahydro-3aH-benzimidazol-2-one;1,3-bis(4-chlorophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one;bis(1,3-bis(4-chlorophenyl)-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one);1-bromo-3-methylbenzene?

1,3-bis(4-chlorophenyl)-7a-(3-methylphenyl)-4,5,6,7-tetrahydro-3aH-benzimidazol-2-one;1,3-bis(4-chlorophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one;bis(1,3-bis(4-chlorophenyl)-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one);1-bromo-3-methylbenzene has a molecular weight of 2367.88 g/mol, XLogP of 38.13, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(4-chlorophenyl)-7a-(3-methylphenyl)-4,5,6,7-tetrahydro-3aH-benzimidazol-2-one;1,3-bis(4-chlorophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one;bis(1,3-bis(4-chlorophenyl)-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one);1-bromo-3-methylbenzene is sourced from PubChem (CID 157086229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).