2-chloro-5-phenylmethoxy-3H-benzo[e]benzimidazole;deuterio(fluoro)methane;deuterio(iodo)methane;2-(dimethylamino)-3H-benzo[e]benzimidazole-4,5-dione;2-(dimethylamino)-3H-benzo[e]benzimidazol-5-ol;N,N-dimethyl-5-phenylmethoxy-3H-benzo[e]benzimidazol-2-amine;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;5-phenylmethoxy-1,3-dihydrobenzo[e]benzimidazol-2-one;4-phenylmethoxynaphthalene-1,2-diamine;phosphoryl trichloride

C122H114Cl4FIN17O13P — CID 158275253

About 2-chloro-5-phenylmethoxy-3H-benzo[e]benzimidazole;deuterio(fluoro)methane;deuterio(iodo)methane;2-(dimethylamino)-3H-benzo[e]benzimidazole-4,5-dione;2-(dimethylamino)-3H-benzo[e]benzimidazol-5-ol;N,N-dimethyl-5-phenylmethoxy-3H-benzo[e]benzimidazol-2-amine;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;5-phenylmethoxy-1,3-dihydrobenzo[e]benzimidazol-2-one;4-phenylmethoxynaphthalene-1,2-diamine;phosphoryl trichloride

2-chloro-5-phenylmethoxy-3H-benzo[e]benzimidazole;deuterio(fluoro)methane;deuterio(iodo)methane;2-(dimethylamino)-3H-benzo[e]benzimidazole-4,5-dione;2-(dimethylamino)-3H-benzo[e]benzimidazol-5-ol;N,N-dimethyl-5-phenylmethoxy-3H-benzo[e]benzimidazol-2-amine;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;5-phenylmethoxy-1,3-dihydrobenzo[e]benzimidazol-2-one;4-phenylmethoxynaphthalene-1,2-diamine;phosphoryl trichloride (PubChem CID 158275253) has the molecular formula C122H114Cl4FIN17O13P and a molecular weight of 2347.06 g/mol. Its IUPAC name is 2-chloro-5-phenylmethoxy-3H-benzo[e]benzimidazole;deuterio(fluoro)methane;deuterio(iodo)methane;2-(dimethylamino)-3H-benzo[e]benzimidazole-4,5-dione;2-(dimethylamino)-3H-benzo[e]benzimidazol-5-ol;N,N-dimethyl-5-phenylmethoxy-3H-benzo[e]benzimidazol-2-amine;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;5-phenylmethoxy-1,3-dihydrobenzo[e]benzimidazol-2-one;4-phenylmethoxynaphthalene-1,2-diamine;phosphoryl trichloride.

Molecular Properties

• Compound Name: 2-chloro-5-phenylmethoxy-3H-benzo[e]benzimidazole;deuterio(fluoro)methane;deuterio(iodo)methane;2-(dimethylamino)-3H-benzo[e]benzimidazole-4,5-dione;2-(dimethylamino)-3H-benzo[e]benzimidazol-5-ol;N,N-dimethyl-5-phenylmethoxy-3H-benzo[e]benzimidazol-2-amine;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;5-phenylmethoxy-1,3-dihydrobenzo[e]benzimidazol-2-one;4-phenylmethoxynaphthalene-1,2-diamine;phosphoryl trichloride
• PubChem CID: 158275253
• Molecular Formula: C122H114Cl4FIN17O13P
• Molecular Weight: 2347.06 g/mol
• Exact Mass: 2343.64
• IUPAC Name: 2-chloro-5-phenylmethoxy-3H-benzo[e]benzimidazole;deuterio(fluoro)methane;deuterio(iodo)methane;2-(dimethylamino)-3H-benzo[e]benzimidazole-4,5-dione;2-(dimethylamino)-3H-benzo[e]benzimidazol-5-ol;N,N-dimethyl-5-phenylmethoxy-3H-benzo[e]benzimidazol-2-amine;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;5-phenylmethoxy-1,3-dihydrobenzo[e]benzimidazol-2-one;4-phenylmethoxynaphthalene-1,2-diamine;phosphoryl trichloride
• SMILES: C1CCOC1.CN(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2.CN(C)c1nc2c(cc(O)c3ccccc32)[nH]1.CN(C)c1nc2c(cc(OCc3ccccc3)c3ccccc32)[nH]1.Clc1nc2c(cc(OCc3ccccc3)c3ccccc32)[nH]1.Nc1c([N+](=O)[O-])cc(OCc2ccccc2)c2ccccc12.Nc1cc(OCc2ccccc2)c2ccccc2c1N.O=P(Cl)(Cl)Cl.O=c1[nH]c2cc(OCc3ccccc3)c3ccccc3c2[nH]1.[2H]CF.[2H]CI
• InChI: InChI=1S/C20H19N3O.C18H13ClN2O.C18H14N2O2.C17H14N2O3.C17H16N2O.C13H11N3O2.C13H13N3O.C4H8O.CH3F.CH3I.Cl3OP/c1-23(2)20-21-17-12-18(24-13-14-8-4-3-5-9-14)15-10-6-7-11-16(15)19(17)22-20;19-18-20-15-10-16(22-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(15)21-18;21-18-19-15-10-16(22-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(15)20-18;18-17-14-9-5-4-8-13(14)16(10-15(17)19(20)21)22-11-12-6-2-1-3-7-12;18-15-10-16(20-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(15)19;1-16(2)13-14-9-7-5-3-4-6-8(7)11(17)12(18)10(9)15-13;1-16(2)13-14-10-7-11(17)8-5-3-4-6-9(8)12(10)15-13;1-2-4-5-3-1;2*1-2;1-5(2,3)4/h3-12H,13H2,1-2H3,(H,21,22);1-10H,11H2,(H,20,21);1-10H,11H2,(H2,19,20,21);1-10H,11,18H2;1-10H,11,18-19H2;3-6H,1-2H3,(H,14,15);3-7,17H,1-2H3,(H,14,15);1-4H2;2*1H3;/i;;;;;;;;2*1D
• InChIKey: GJNKXMUUVWHCBJ-ZWJLGPIHSA-N
• XLogP: 29.64
• TPSA: 421.11 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2347.06
LogP ≤ 5	29.64
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-phenylmethoxy-3H-benzo[e]benzimidazole;deuterio(fluoro)methane;deuterio(iodo)methane;2-(dimethylamino)-3H-benzo[e]benzimidazole-4,5-dione;2-(dimethylamino)-3H-benzo[e]benzimidazol-5-ol;N,N-dimethyl-5-phenylmethoxy-3H-benzo[e]benzimidazol-2-amine;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;5-phenylmethoxy-1,3-dihydrobenzo[e]benzimidazol-2-one;4-phenylmethoxynaphthalene-1,2-diamine;phosphoryl trichloride?

The IUPAC name of 2-chloro-5-phenylmethoxy-3H-benzo[e]benzimidazole;deuterio(fluoro)methane;deuterio(iodo)methane;2-(dimethylamino)-3H-benzo[e]benzimidazole-4,5-dione;2-(dimethylamino)-3H-benzo[e]benzimidazol-5-ol;N,N-dimethyl-5-phenylmethoxy-3H-benzo[e]benzimidazol-2-amine;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;5-phenylmethoxy-1,3-dihydrobenzo[e]benzimidazol-2-one;4-phenylmethoxynaphthalene-1,2-diamine;phosphoryl trichloride (CID 158275253) is 2-chloro-5-phenylmethoxy-3H-benzo[e]benzimidazole;deuterio(fluoro)methane;deuterio(iodo)methane;2-(dimethylamino)-3H-benzo[e]benzimidazole-4,5-dione;2-(dimethylamino)-3H-benzo[e]benzimidazol-5-ol;N,N-dimethyl-5-phenylmethoxy-3H-benzo[e]benzimidazol-2-amine;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;5-phenylmethoxy-1,3-dihydrobenzo[e]benzimidazol-2-one;4-phenylmethoxynaphthalene-1,2-diamine;phosphoryl trichloride.

What is the SMILES notation for 2-chloro-5-phenylmethoxy-3H-benzo[e]benzimidazole;deuterio(fluoro)methane;deuterio(iodo)methane;2-(dimethylamino)-3H-benzo[e]benzimidazole-4,5-dione;2-(dimethylamino)-3H-benzo[e]benzimidazol-5-ol;N,N-dimethyl-5-phenylmethoxy-3H-benzo[e]benzimidazol-2-amine;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;5-phenylmethoxy-1,3-dihydrobenzo[e]benzimidazol-2-one;4-phenylmethoxynaphthalene-1,2-diamine;phosphoryl trichloride?

The canonical SMILES for 2-chloro-5-phenylmethoxy-3H-benzo[e]benzimidazole;deuterio(fluoro)methane;deuterio(iodo)methane;2-(dimethylamino)-3H-benzo[e]benzimidazole-4,5-dione;2-(dimethylamino)-3H-benzo[e]benzimidazol-5-ol;N,N-dimethyl-5-phenylmethoxy-3H-benzo[e]benzimidazol-2-amine;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;5-phenylmethoxy-1,3-dihydrobenzo[e]benzimidazol-2-one;4-phenylmethoxynaphthalene-1,2-diamine;phosphoryl trichloride is C1CCOC1.CN(C)c1nc2c([nH]1)C(=O)C(=O)c1ccccc1-2.CN(C)c1nc2c(cc(O)c3ccccc32)[nH]1.CN(C)c1nc2c(cc(OCc3ccccc3)c3ccccc32)[nH]1.Clc1nc2c(cc(OCc3ccccc3)c3ccccc32)[nH]1.Nc1c([N+](=O)[O-])cc(OCc2ccccc2)c2ccccc12.Nc1cc(OCc2ccccc2)c2ccccc2c1N.O=P(Cl)(Cl)Cl.O=c1[nH]c2cc(OCc3ccccc3)c3ccccc3c2[nH]1.[2H]CF.[2H]CI.

What is the InChIKey of 2-chloro-5-phenylmethoxy-3H-benzo[e]benzimidazole;deuterio(fluoro)methane;deuterio(iodo)methane;2-(dimethylamino)-3H-benzo[e]benzimidazole-4,5-dione;2-(dimethylamino)-3H-benzo[e]benzimidazol-5-ol;N,N-dimethyl-5-phenylmethoxy-3H-benzo[e]benzimidazol-2-amine;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;5-phenylmethoxy-1,3-dihydrobenzo[e]benzimidazol-2-one;4-phenylmethoxynaphthalene-1,2-diamine;phosphoryl trichloride?

The InChIKey is GJNKXMUUVWHCBJ-ZWJLGPIHSA-N. The full InChI is InChI=1S/C20H19N3O.C18H13ClN2O.C18H14N2O2.C17H14N2O3.C17H16N2O.C13H11N3O2.C13H13N3O.C4H8O.CH3F.CH3I.Cl3OP/c1-23(2)20-21-17-12-18(24-13-14-8-4-3-5-9-14)15-10-6-7-11-16(15)19(17)22-20;19-18-20-15-10-16(22-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(15)21-18;21-18-19-15-10-16(22-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(15)20-18;18-17-14-9-5-4-8-13(14)16(10-15(17)19(20)21)22-11-12-6-2-1-3-7-12;18-15-10-16(20-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(15)19;1-16(2)13-14-9-7-5-3-4-6-8(7)11(17)12(18)10(9)15-13;1-16(2)13-14-10-7-11(17)8-5-3-4-6-9(8)12(10)15-13;1-2-4-5-3-1;2*1-2;1-5(2,3)4/h3-12H,13H2,1-2H3,(H,21,22);1-10H,11H2,(H,20,21);1-10H,11H2,(H2,19,20,21);1-10H,11,18H2;1-10H,11,18-19H2;3-6H,1-2H3,(H,14,15);3-7,17H,1-2H3,(H,14,15);1-4H2;2*1H3;/i;;;;;;;;2*1D;.

What are the key properties of 2-chloro-5-phenylmethoxy-3H-benzo[e]benzimidazole;deuterio(fluoro)methane;deuterio(iodo)methane;2-(dimethylamino)-3H-benzo[e]benzimidazole-4,5-dione;2-(dimethylamino)-3H-benzo[e]benzimidazol-5-ol;N,N-dimethyl-5-phenylmethoxy-3H-benzo[e]benzimidazol-2-amine;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;5-phenylmethoxy-1,3-dihydrobenzo[e]benzimidazol-2-one;4-phenylmethoxynaphthalene-1,2-diamine;phosphoryl trichloride?

2-chloro-5-phenylmethoxy-3H-benzo[e]benzimidazole;deuterio(fluoro)methane;deuterio(iodo)methane;2-(dimethylamino)-3H-benzo[e]benzimidazole-4,5-dione;2-(dimethylamino)-3H-benzo[e]benzimidazol-5-ol;N,N-dimethyl-5-phenylmethoxy-3H-benzo[e]benzimidazol-2-amine;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;5-phenylmethoxy-1,3-dihydrobenzo[e]benzimidazol-2-one;4-phenylmethoxynaphthalene-1,2-diamine;phosphoryl trichloride has a molecular weight of 2347.06 g/mol, XLogP of 29.64, 19 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-phenylmethoxy-3H-benzo[e]benzimidazole;deuterio(fluoro)methane;deuterio(iodo)methane;2-(dimethylamino)-3H-benzo[e]benzimidazole-4,5-dione;2-(dimethylamino)-3H-benzo[e]benzimidazol-5-ol;N,N-dimethyl-5-phenylmethoxy-3H-benzo[e]benzimidazol-2-amine;2-nitro-4-phenylmethoxynaphthalen-1-amine;oxolane;5-phenylmethoxy-1,3-dihydrobenzo[e]benzimidazol-2-one;4-phenylmethoxynaphthalene-1,2-diamine;phosphoryl trichloride is sourced from PubChem (CID 158275253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).