3-[[5-chloro-2-[4-[6-chloro-5-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-indol-6-yl]oxy]-N,N-dimethylpropan-1-amine;4-chloro-5-[3-(dimethylamino)propoxy]benzene-1,2-diamine;5-chloro-4-[3-(dimethylamino)propoxy]-2-nitroaniline;5-chloro-4-fluoro-2-nitroaniline;3-(dimethylamino)propan-1-ol;methane;terephthalaldehyde

C73H96Cl5FN14O11 — CID 157214713

About 3-[[5-chloro-2-[4-[6-chloro-5-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-indol-6-yl]oxy]-N,N-dimethylpropan-1-amine;4-chloro-5-[3-(dimethylamino)propoxy]benzene-1,2-diamine;5-chloro-4-[3-(dimethylamino)propoxy]-2-nitroaniline;5-chloro-4-fluoro-2-nitroaniline;3-(dimethylamino)propan-1-ol;methane;terephthalaldehyde

3-[[5-chloro-2-[4-[6-chloro-5-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-indol-6-yl]oxy]-N,N-dimethylpropan-1-amine;4-chloro-5-[3-(dimethylamino)propoxy]benzene-1,2-diamine;5-chloro-4-[3-(dimethylamino)propoxy]-2-nitroaniline;5-chloro-4-fluoro-2-nitroaniline;3-(dimethylamino)propan-1-ol;methane;terephthalaldehyde (PubChem CID 157214713) has the molecular formula C73H96Cl5FN14O11 and a molecular weight of 1541.92 g/mol. Its IUPAC name is 3-[[5-chloro-2-[4-[6-chloro-5-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-indol-6-yl]oxy]-N,N-dimethylpropan-1-amine;4-chloro-5-[3-(dimethylamino)propoxy]benzene-1,2-diamine;5-chloro-4-[3-(dimethylamino)propoxy]-2-nitroaniline;5-chloro-4-fluoro-2-nitroaniline;3-(dimethylamino)propan-1-ol;methane;terephthalaldehyde.

Molecular Properties

• Compound Name: 3-[[5-chloro-2-[4-[6-chloro-5-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-indol-6-yl]oxy]-N,N-dimethylpropan-1-amine;4-chloro-5-[3-(dimethylamino)propoxy]benzene-1,2-diamine;5-chloro-4-[3-(dimethylamino)propoxy]-2-nitroaniline;5-chloro-4-fluoro-2-nitroaniline;3-(dimethylamino)propan-1-ol;methane;terephthalaldehyde
• PubChem CID: 157214713
• Molecular Formula: C73H96Cl5FN14O11
• Molecular Weight: 1541.92 g/mol
• Exact Mass: 1538.58
• IUPAC Name: 3-[[5-chloro-2-[4-[6-chloro-5-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-indol-6-yl]oxy]-N,N-dimethylpropan-1-amine;4-chloro-5-[3-(dimethylamino)propoxy]benzene-1,2-diamine;5-chloro-4-[3-(dimethylamino)propoxy]-2-nitroaniline;5-chloro-4-fluoro-2-nitroaniline;3-(dimethylamino)propan-1-ol;methane;terephthalaldehyde
• SMILES: C.CN(C)CCCO.CN(C)CCCOc1cc(N)c(N)cc1Cl.CN(C)CCCOc1cc([N+](=O)[O-])c(N)cc1Cl.CN(C)CCCOc1cc2c(cc1Cl)CC(c1ccc(-c3nc4cc(OCCCN(C)C)c(Cl)cc4[nH]3)cc1)=N2.Nc1cc(Cl)c(F)cc1[N+](=O)[O-].O=Cc1ccc(C=O)cc1
• InChI: InChI=1S/C31H35Cl2N5O2.C11H16ClN3O3.C11H18ClN3O.C8H6O2.C6H4ClFN2O2.C5H13NO.CH4/c1-37(2)11-5-13-39-29-18-26-22(15-23(29)32)16-25(34-26)20-7-9-21(10-8-20)31-35-27-17-24(33)30(19-28(27)36-31)40-14-6-12-38(3)4;1-14(2)4-3-5-18-11-7-10(15(16)17)9(13)6-8(11)12;1-15(2)4-3-5-16-11-7-10(14)9(13)6-8(11)12;9-5-7-1-2-8(6-10)4-3-7;7-3-1-5(9)6(10(11)12)2-4(3)8;1-6(2)4-3-5-7;/h7-10,15,17-19H,5-6,11-14,16H2,1-4H3,(H,35,36);6-7H,3-5,13H2,1-2H3;6-7H,3-5,13-14H2,1-2H3;1-6H;1-2H,9H2;7H,3-5H2,1-2H3;1H4
• InChIKey: ASGYPXGCSFZWAB-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 338.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1541.92
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-2-[4-[6-chloro-5-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-indol-6-yl]oxy]-N,N-dimethylpropan-1-amine;4-chloro-5-[3-(dimethylamino)propoxy]benzene-1,2-diamine;5-chloro-4-[3-(dimethylamino)propoxy]-2-nitroaniline;5-chloro-4-fluoro-2-nitroaniline;3-(dimethylamino)propan-1-ol;methane;terephthalaldehyde?

The IUPAC name of 3-[[5-chloro-2-[4-[6-chloro-5-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-indol-6-yl]oxy]-N,N-dimethylpropan-1-amine;4-chloro-5-[3-(dimethylamino)propoxy]benzene-1,2-diamine;5-chloro-4-[3-(dimethylamino)propoxy]-2-nitroaniline;5-chloro-4-fluoro-2-nitroaniline;3-(dimethylamino)propan-1-ol;methane;terephthalaldehyde (CID 157214713) is 3-[[5-chloro-2-[4-[6-chloro-5-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-indol-6-yl]oxy]-N,N-dimethylpropan-1-amine;4-chloro-5-[3-(dimethylamino)propoxy]benzene-1,2-diamine;5-chloro-4-[3-(dimethylamino)propoxy]-2-nitroaniline;5-chloro-4-fluoro-2-nitroaniline;3-(dimethylamino)propan-1-ol;methane;terephthalaldehyde.

What is the SMILES notation for 3-[[5-chloro-2-[4-[6-chloro-5-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-indol-6-yl]oxy]-N,N-dimethylpropan-1-amine;4-chloro-5-[3-(dimethylamino)propoxy]benzene-1,2-diamine;5-chloro-4-[3-(dimethylamino)propoxy]-2-nitroaniline;5-chloro-4-fluoro-2-nitroaniline;3-(dimethylamino)propan-1-ol;methane;terephthalaldehyde?

The canonical SMILES for 3-[[5-chloro-2-[4-[6-chloro-5-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-indol-6-yl]oxy]-N,N-dimethylpropan-1-amine;4-chloro-5-[3-(dimethylamino)propoxy]benzene-1,2-diamine;5-chloro-4-[3-(dimethylamino)propoxy]-2-nitroaniline;5-chloro-4-fluoro-2-nitroaniline;3-(dimethylamino)propan-1-ol;methane;terephthalaldehyde is C.CN(C)CCCO.CN(C)CCCOc1cc(N)c(N)cc1Cl.CN(C)CCCOc1cc([N+](=O)[O-])c(N)cc1Cl.CN(C)CCCOc1cc2c(cc1Cl)CC(c1ccc(-c3nc4cc(OCCCN(C)C)c(Cl)cc4[nH]3)cc1)=N2.Nc1cc(Cl)c(F)cc1[N+](=O)[O-].O=Cc1ccc(C=O)cc1.

What is the InChIKey of 3-[[5-chloro-2-[4-[6-chloro-5-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-indol-6-yl]oxy]-N,N-dimethylpropan-1-amine;4-chloro-5-[3-(dimethylamino)propoxy]benzene-1,2-diamine;5-chloro-4-[3-(dimethylamino)propoxy]-2-nitroaniline;5-chloro-4-fluoro-2-nitroaniline;3-(dimethylamino)propan-1-ol;methane;terephthalaldehyde?

The InChIKey is ASGYPXGCSFZWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35Cl2N5O2.C11H16ClN3O3.C11H18ClN3O.C8H6O2.C6H4ClFN2O2.C5H13NO.CH4/c1-37(2)11-5-13-39-29-18-26-22(15-23(29)32)16-25(34-26)20-7-9-21(10-8-20)31-35-27-17-24(33)30(19-28(27)36-31)40-14-6-12-38(3)4;1-14(2)4-3-5-18-11-7-10(15(16)17)9(13)6-8(11)12;1-15(2)4-3-5-16-11-7-10(14)9(13)6-8(11)12;9-5-7-1-2-8(6-10)4-3-7;7-3-1-5(9)6(10(11)12)2-4(3)8;1-6(2)4-3-5-7;/h7-10,15,17-19H,5-6,11-14,16H2,1-4H3,(H,35,36);6-7H,3-5,13H2,1-2H3;6-7H,3-5,13-14H2,1-2H3;1-6H;1-2H,9H2;7H,3-5H2,1-2H3;1H4.

What are the key properties of 3-[[5-chloro-2-[4-[6-chloro-5-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-indol-6-yl]oxy]-N,N-dimethylpropan-1-amine;4-chloro-5-[3-(dimethylamino)propoxy]benzene-1,2-diamine;5-chloro-4-[3-(dimethylamino)propoxy]-2-nitroaniline;5-chloro-4-fluoro-2-nitroaniline;3-(dimethylamino)propan-1-ol;methane;terephthalaldehyde?

3-[[5-chloro-2-[4-[6-chloro-5-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-indol-6-yl]oxy]-N,N-dimethylpropan-1-amine;4-chloro-5-[3-(dimethylamino)propoxy]benzene-1,2-diamine;5-chloro-4-[3-(dimethylamino)propoxy]-2-nitroaniline;5-chloro-4-fluoro-2-nitroaniline;3-(dimethylamino)propan-1-ol;methane;terephthalaldehyde has a molecular weight of 1541.92 g/mol, XLogP of 14.72, 29 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-chloro-2-[4-[6-chloro-5-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-indol-6-yl]oxy]-N,N-dimethylpropan-1-amine;4-chloro-5-[3-(dimethylamino)propoxy]benzene-1,2-diamine;5-chloro-4-[3-(dimethylamino)propoxy]-2-nitroaniline;5-chloro-4-fluoro-2-nitroaniline;3-(dimethylamino)propan-1-ol;methane;terephthalaldehyde is sourced from PubChem (CID 157214713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).