bis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane

C136H119Cl6N15O12 — CID 159874614

IUPACbis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane
SMILESC.CN1C(=O)C(Cc2ccc(-c3ccccc3)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(-c3cccnc3)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(C3=CCC=C3)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(C3=CCC=C3)cc2)NC(=O)c2cc(Cl)ccc21.Cc1cc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)ccn1.Cc1ccc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)cn1
InChIInChI=1S/2C23H20ClN3O2.C23H19ClN2O2.C22H18ClN3O2.2C22H19ClN2O2.CH4/c1-14-3-6-17(13-25-14)16-7-4-15(5-8-16)11-20-23(29)27(2)21-10-9-18(24)12-19(21)22(28)26-20;1-14-11-17(9-10-25-14)16-5-3-15(4-6-16)12-20-23(29)27(2)21-8-7-18(24)13-19(21)22(28)26-20;1-26-21-12-11-18(24)14-19(21)22(27)25-20(23(26)28)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16;1-26-20-9-8-17(23)12-18(20)21(27)25-19(22(26)28)11-14-4-6-15(7-5-14)16-3-2-10-24-13-16;2*1-25-20-11-10-17(23)13-18(20)21(26)24-19(22(25)27)12-14-6-8-16(9-7-14)15-4-2-3-5-15;/h3-10,12-13,20H,11H2,1-2H3,(H,26,28);3-11,13,20H,12H2,1-2H3,(H,26,28);2-12,14,20H,13H2,1H3,(H,25,27);2-10,12-13,19H,11H2,1H3,(H,25,27);2*2,4-11,13,19H,3,12H2,1H3,(H,24,26);1H4
InChIKeyNSSZJERFPXCDIG-UHFFFAOYSA-N
MW2368.26 g/mol
LogP24.74
Rot. Bonds18

About bis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane

bis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane (PubChem CID 159874614) has the molecular formula C136H119Cl6N15O12 and a molecular weight of 2368.26 g/mol. Its IUPAC name is bis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane.

Molecular Properties

Compound Namebis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane
PubChem CID159874614
Molecular FormulaC136H119Cl6N15O12
Molecular Weight2368.26 g/mol
Exact Mass2363.73
IUPAC Namebis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane
SMILESC.CN1C(=O)C(Cc2ccc(-c3ccccc3)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(-c3cccnc3)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(C3=CCC=C3)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(C3=CCC=C3)cc2)NC(=O)c2cc(Cl)ccc21.Cc1cc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)ccn1.Cc1ccc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)cn1
InChIInChI=1S/2C23H20ClN3O2.C23H19ClN2O2.C22H18ClN3O2.2C22H19ClN2O2.CH4/c1-14-3-6-17(13-25-14)16-7-4-15(5-8-16)11-20-23(29)27(2)21-10-9-18(24)12-19(21)22(28)26-20;1-14-11-17(9-10-25-14)16-5-3-15(4-6-16)12-20-23(29)27(2)21-8-7-18(24)13-19(21)22(28)26-20;1-26-21-12-11-18(24)14-19(21)22(27)25-20(23(26)28)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16;1-26-20-9-8-17(23)12-18(20)21(27)25-19(22(26)28)11-14-4-6-15(7-5-14)16-3-2-10-24-13-16;2*1-25-20-11-10-17(23)13-18(20)21(26)24-19(22(25)27)12-14-6-8-16(9-7-14)15-4-2-3-5-15;/h3-10,12-13,20H,11H2,1-2H3,(H,26,28);3-11,13,20H,12H2,1-2H3,(H,26,28);2-12,14,20H,13H2,1H3,(H,25,27);2-10,12-13,19H,11H2,1H3,(H,25,27);2*2,4-11,13,19H,3,12H2,1H3,(H,24,26);1H4
InChIKeyNSSZJERFPXCDIG-UHFFFAOYSA-N
XLogP24.74
TPSA335.13 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms169
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002368.26
LogP ≤ 524.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze bis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane?
The IUPAC name of bis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane (CID 159874614) is bis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane.
What is the SMILES notation for bis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane?
The canonical SMILES for bis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane is C.CN1C(=O)C(Cc2ccc(-c3ccccc3)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(-c3cccnc3)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(C3=CCC=C3)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(C3=CCC=C3)cc2)NC(=O)c2cc(Cl)ccc21.Cc1cc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)ccn1.Cc1ccc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)cn1.
What is the InChIKey of bis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane?
The InChIKey is NSSZJERFPXCDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20ClN3O2.C23H19ClN2O2.C22H18ClN3O2.2C22H19ClN2O2.CH4/c1-14-3-6-17(13-25-14)16-7-4-15(5-8-16)11-20-23(29)27(2)21-10-9-18(24)12-19(21)22(28)26-20;1-14-11-17(9-10-25-14)16-5-3-15(4-6-16)12-20-23(29)27(2)21-8-7-18(24)13-19(21)22(28)26-20;1-26-21-12-11-18(24)14-19(21)22(27)25-20(23(26)28)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16;1-26-20-9-8-17(23)12-18(20)21(27)25-19(22(26)28)11-14-4-6-15(7-5-14)16-3-2-10-24-13-16;2*1-25-20-11-10-17(23)13-18(20)21(26)24-19(22(25)27)12-14-6-8-16(9-7-14)15-4-2-3-5-15;/h3-10,12-13,20H,11H2,1-2H3,(H,26,28);3-11,13,20H,12H2,1-2H3,(H,26,28);2-12,14,20H,13H2,1H3,(H,25,27);2-10,12-13,19H,11H2,1H3,(H,25,27);2*2,4-11,13,19H,3,12H2,1H3,(H,24,26);1H4.
What are the key properties of bis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane?
bis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane has a molecular weight of 2368.26 g/mol, XLogP of 24.74, 18 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-chloro-3-[(4-cyclopenta-1,4-dien-1-ylphenyl)methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione);7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane is sourced from PubChem (CID 159874614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).