7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane

C108H111Cl2N15O8S4 — CID 162253001

IUPAC7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane
SMILESC.C.CN1C(=O)C(Cc2cccc(-c3ccccc3)c2)NC(=O)c2cc(Cl)ccc21.Cc1ccc(Cl)cc1S(=O)(=O)N1Cc2ccccc2N(Cc2cnc[nH]2)C(CCc2ccccc2)C1.O=S(=O)(c1ccc2cccnc2c1)N1Cc2ccccc2N(Cc2cnc[nH]2)C(CCc2ccccc2)C1.O=S(=O)(c1cccs1)N1Cc2ccccc2N(Cc2cnc[nH]2)C(CCc2ccccc2)C1
InChIInChI=1S/C30H29N5O2S.C28H29ClN4O2S.C25H26N4O2S2.C23H19ClN2O2.2CH4/c36-38(37,28-15-13-24-10-6-16-32-29(24)17-28)34-19-25-9-4-5-11-30(25)35(20-26-18-31-22-33-26)27(21-34)14-12-23-7-2-1-3-8-23;1-21-11-13-24(29)15-28(21)36(34,35)32-17-23-9-5-6-10-27(23)33(18-25-16-30-20-31-25)26(19-32)14-12-22-7-3-2-4-8-22;30-33(31,25-11-6-14-32-25)28-16-21-9-4-5-10-24(21)29(17-22-15-26-19-27-22)23(18-28)13-12-20-7-2-1-3-8-20;1-26-21-11-10-18(24)14-19(21)22(27)25-20(23(26)28)13-15-6-5-9-17(12-15)16-7-3-2-4-8-16;;/h1-11,13,15-18,22,27H,12,14,19-21H2,(H,31,33);2-11,13,15-16,20,26H,12,14,17-19H2,1H3,(H,30,31);1-11,14-15,19,23H,12-13,16-18H2,(H,26,27);2-12,14,20H,13H2,1H3,(H,25,27);2*1H4
InChIKeyZYFQWFDQOOJGDV-UHFFFAOYSA-N
MW1946.35 g/mol
LogP21.03
Rot. Bonds24

About 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane

7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane (PubChem CID 162253001) has the molecular formula C108H111Cl2N15O8S4 and a molecular weight of 1946.35 g/mol. Its IUPAC name is 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane.

Molecular Properties

Compound Name7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane
PubChem CID162253001
Molecular FormulaC108H111Cl2N15O8S4
Molecular Weight1946.35 g/mol
Exact Mass1943.70
IUPAC Name7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane
SMILESC.C.CN1C(=O)C(Cc2cccc(-c3ccccc3)c2)NC(=O)c2cc(Cl)ccc21.Cc1ccc(Cl)cc1S(=O)(=O)N1Cc2ccccc2N(Cc2cnc[nH]2)C(CCc2ccccc2)C1.O=S(=O)(c1ccc2cccnc2c1)N1Cc2ccccc2N(Cc2cnc[nH]2)C(CCc2ccccc2)C1.O=S(=O)(c1cccs1)N1Cc2ccccc2N(Cc2cnc[nH]2)C(CCc2ccccc2)C1
InChIInChI=1S/C30H29N5O2S.C28H29ClN4O2S.C25H26N4O2S2.C23H19ClN2O2.2CH4/c36-38(37,28-15-13-24-10-6-16-32-29(24)17-28)34-19-25-9-4-5-11-30(25)35(20-26-18-31-22-33-26)27(21-34)14-12-23-7-2-1-3-8-23;1-21-11-13-24(29)15-28(21)36(34,35)32-17-23-9-5-6-10-27(23)33(18-25-16-30-20-31-25)26(19-32)14-12-22-7-3-2-4-8-22;30-33(31,25-11-6-14-32-25)28-16-21-9-4-5-10-24(21)29(17-22-15-26-19-27-22)23(18-28)13-12-20-7-2-1-3-8-20;1-26-21-11-10-18(24)14-19(21)22(27)25-20(23(26)28)13-15-6-5-9-17(12-15)16-7-3-2-4-8-16;;/h1-11,13,15-18,22,27H,12,14,19-21H2,(H,31,33);2-11,13,15-16,20,26H,12,14,17-19H2,1H3,(H,30,31);1-11,14-15,19,23H,12-13,16-18H2,(H,26,27);2-12,14,20H,13H2,1H3,(H,25,27);2*1H4
InChIKeyZYFQWFDQOOJGDV-UHFFFAOYSA-N
XLogP21.03
TPSA270.20 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001946.35
LogP ≤ 521.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane with MolForge

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Related Compounds

4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine
CID 158763370

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane?
The IUPAC name of 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane (CID 162253001) is 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane.
What is the SMILES notation for 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane?
The canonical SMILES for 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane is C.C.CN1C(=O)C(Cc2cccc(-c3ccccc3)c2)NC(=O)c2cc(Cl)ccc21.Cc1ccc(Cl)cc1S(=O)(=O)N1Cc2ccccc2N(Cc2cnc[nH]2)C(CCc2ccccc2)C1.O=S(=O)(c1ccc2cccnc2c1)N1Cc2ccccc2N(Cc2cnc[nH]2)C(CCc2ccccc2)C1.O=S(=O)(c1cccs1)N1Cc2ccccc2N(Cc2cnc[nH]2)C(CCc2ccccc2)C1.
What is the InChIKey of 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane?
The InChIKey is ZYFQWFDQOOJGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O2S.C28H29ClN4O2S.C25H26N4O2S2.C23H19ClN2O2.2CH4/c36-38(37,28-15-13-24-10-6-16-32-29(24)17-28)34-19-25-9-4-5-11-30(25)35(20-26-18-31-22-33-26)27(21-34)14-12-23-7-2-1-3-8-23;1-21-11-13-24(29)15-28(21)36(34,35)32-17-23-9-5-6-10-27(23)33(18-25-16-30-20-31-25)26(19-32)14-12-22-7-3-2-4-8-22;30-33(31,25-11-6-14-32-25)28-16-21-9-4-5-10-24(21)29(17-22-15-26-19-27-22)23(18-28)13-12-20-7-2-1-3-8-20;1-26-21-11-10-18(24)14-19(21)22(27)25-20(23(26)28)13-15-6-5-9-17(12-15)16-7-3-2-4-8-16;;/h1-11,13,15-18,22,27H,12,14,19-21H2,(H,31,33);2-11,13,15-16,20,26H,12,14,17-19H2,1H3,(H,30,31);1-11,14-15,19,23H,12-13,16-18H2,(H,26,27);2-12,14,20H,13H2,1H3,(H,25,27);2*1H4.
What are the key properties of 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane?
7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane has a molecular weight of 1946.35 g/mol, XLogP of 21.03, 24 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;4-(5-chloro-2-methylphenyl)sulfonyl-1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-quinolin-7-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;1-(1H-imidazol-5-ylmethyl)-2-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine;methane is sourced from PubChem (CID 162253001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).