bis(1-[1-(3,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole);1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethylbenzimidazole;1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(3,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole

C108H100Cl12N12 — CID 157454201

About bis(1-[1-(3,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole);1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethylbenzimidazole;1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(3,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole

bis(1-[1-(3,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole);1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethylbenzimidazole;1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(3,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole (PubChem CID 157454201) has the molecular formula C108H100Cl12N12 and a molecular weight of 1991.51 g/mol. Its IUPAC name is bis(1-[1-(3,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole);1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethylbenzimidazole;1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(3,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole.

Molecular Properties

• Compound Name: bis(1-[1-(3,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole);1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethylbenzimidazole;1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(3,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole
• PubChem CID: 157454201
• Molecular Formula: C108H100Cl12N12
• Molecular Weight: 1991.51 g/mol
• Exact Mass: 1984.45
• IUPAC Name: bis(1-[1-(3,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole);1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethylbenzimidazole;1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(3,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole
• SMILES: CC(c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CC(C)(C)C3.CC(c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CCC3.CC(c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CCC3.CC(c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CCCC3.Cc1cc2ncn(C(C)c3ccc(Cl)c(Cl)c3)c2cc1C.Cc1cc2ncn(Cc3ccc(Cl)c(Cl)c3)c2cc1C
• InChI: InChI=1S/C20H20Cl2N2.C19H18Cl2N2.2C18H16Cl2N2.C17H16Cl2N2.C16H14Cl2N2/c1-12(13-4-5-16(21)17(22)6-13)24-11-23-18-7-14-9-20(2,3)10-15(14)8-19(18)24;1-12(13-6-7-16(20)17(21)8-13)23-11-22-18-9-14-4-2-3-5-15(14)10-19(18)23;2*1-11(12-5-6-15(19)16(20)7-12)22-10-21-17-8-13-3-2-4-14(13)9-18(17)22;1-10-6-16-17(7-11(10)2)21(9-20-16)12(3)13-4-5-14(18)15(19)8-13;1-10-5-15-16(6-11(10)2)20(9-19-15)8-12-3-4-13(17)14(18)7-12/h4-8,11-12H,9-10H2,1-3H3;6-12H,2-5H2,1H3;2*5-11H,2-4H2,1H3;4-9,12H,1-3H3;3-7,9H,8H2,1-2H3
• InChIKey: BTDSKRPPTKWAEV-UHFFFAOYSA-N
• XLogP: 33.37
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1991.51
LogP ≤ 5	33.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of bis(1-[1-(3,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole);1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethylbenzimidazole;1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(3,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole?

The IUPAC name of bis(1-[1-(3,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole);1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethylbenzimidazole;1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(3,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole (CID 157454201) is bis(1-[1-(3,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole);1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethylbenzimidazole;1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(3,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole.

What is the SMILES notation for bis(1-[1-(3,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole);1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethylbenzimidazole;1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(3,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole?

The canonical SMILES for bis(1-[1-(3,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole);1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethylbenzimidazole;1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(3,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole is CC(c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CC(C)(C)C3.CC(c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CCC3.CC(c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CCC3.CC(c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CCCC3.Cc1cc2ncn(C(C)c3ccc(Cl)c(Cl)c3)c2cc1C.Cc1cc2ncn(Cc3ccc(Cl)c(Cl)c3)c2cc1C.

What is the InChIKey of bis(1-[1-(3,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole);1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethylbenzimidazole;1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(3,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole?

The InChIKey is BTDSKRPPTKWAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2.C19H18Cl2N2.2C18H16Cl2N2.C17H16Cl2N2.C16H14Cl2N2/c1-12(13-4-5-16(21)17(22)6-13)24-11-23-18-7-14-9-20(2,3)10-15(14)8-19(18)24;1-12(13-6-7-16(20)17(21)8-13)23-11-22-18-9-14-4-2-3-5-15(14)10-19(18)23;2*1-11(12-5-6-15(19)16(20)7-12)22-10-21-17-8-13-3-2-4-14(13)9-18(17)22;1-10-6-16-17(7-11(10)2)21(9-20-16)12(3)13-4-5-14(18)15(19)8-13;1-10-5-15-16(6-11(10)2)20(9-19-15)8-12-3-4-13(17)14(18)7-12/h4-8,11-12H,9-10H2,1-3H3;6-12H,2-5H2,1H3;2*5-11H,2-4H2,1H3;4-9,12H,1-3H3;3-7,9H,8H2,1-2H3.

What are the key properties of bis(1-[1-(3,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole);1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethylbenzimidazole;1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(3,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole?

bis(1-[1-(3,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole);1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethylbenzimidazole;1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(3,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole has a molecular weight of 1991.51 g/mol, XLogP of 33.37, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[1-(3,4-dichlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[f]benzimidazole);1-[1-(3,4-dichlorophenyl)ethyl]-5,6-dimethylbenzimidazole;1-[1-(3,4-dichlorophenyl)ethyl]-6,6-dimethyl-5,7-dihydrocyclopenta[f]benzimidazole;3-[1-(3,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydrobenzo[f]benzimidazole;1-[(3,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 157454201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).