4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid)

C144H136Cl6F13N19O18 — CID 162026658

IUPAC4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid)
SMILESC.CN(C)CCN(C)Cc1cccc(CN2C(=O)CN(C(=O)c3ccc(Cl)cc3)Cc3ccccc32)c1.CN1CCN=C1c1ccc(CN2C(=O)CN(C(=O)c3ccc(Cl)cc3)Cc3ccccc32)c(Cl)c1.CN1CCN=C1c1ccc(CN2C(=O)CN(C(=O)c3ccc(Cl)cc3)Cc3ccccc32)c(F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1ccc(Cl)cc1)N1CC(=O)N(Cc2cc3cnccc3[nH]2)c2ccccc2C1.O=C(c1ccc(Cl)cc1)N1CC(=O)N(Cc2cccc(CN3CCCC3)c2)c2ccccc2C1
InChIInChI=1S/C29H33ClN4O2.C28H28ClN3O2.C27H24Cl2N4O2.C27H24ClFN4O2.C24H19ClN4O2.4C2HF3O2.CH4/c1-31(2)15-16-32(3)18-22-7-6-8-23(17-22)19-34-27-10-5-4-9-25(27)20-33(21-28(34)35)29(36)24-11-13-26(30)14-12-24;29-25-12-10-23(11-13-25)28(34)31-19-24-8-1-2-9-26(24)32(27(33)20-31)18-22-7-5-6-21(16-22)17-30-14-3-4-15-30;2*1-31-13-12-30-26(31)19-6-7-20(23(29)14-19)16-33-24-5-3-2-4-21(24)15-32(17-25(33)34)27(35)18-8-10-22(28)11-9-18;25-19-7-5-16(6-8-19)24(31)28-13-17-3-1-2-4-22(17)29(23(30)15-28)14-20-11-18-12-26-10-9-21(18)27-20;4*3-2(4,5)1(6)7;/h4-14,17H,15-16,18-21H2,1-3H3;1-2,5-13,16H,3-4,14-15,17-20H2;2*2-11,14H,12-13,15-17H2,1H3;1-12,27H,13-15H2;4*(H,6,7);1H4
InChIKeyOTGYUPNJXNBQSH-UHFFFAOYSA-N
MW2880.48 g/mol
LogP26.46
Rot. Bonds24

About 4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid)

4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid) (PubChem CID 162026658) has the molecular formula C144H136Cl6F13N19O18 and a molecular weight of 2880.48 g/mol. Its IUPAC name is 4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid)
PubChem CID162026658
Molecular FormulaC144H136Cl6F13N19O18
Molecular Weight2880.48 g/mol
Exact Mass2875.82
IUPAC Name4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid)
SMILESC.CN(C)CCN(C)Cc1cccc(CN2C(=O)CN(C(=O)c3ccc(Cl)cc3)Cc3ccccc32)c1.CN1CCN=C1c1ccc(CN2C(=O)CN(C(=O)c3ccc(Cl)cc3)Cc3ccccc32)c(Cl)c1.CN1CCN=C1c1ccc(CN2C(=O)CN(C(=O)c3ccc(Cl)cc3)Cc3ccccc32)c(F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1ccc(Cl)cc1)N1CC(=O)N(Cc2cc3cnccc3[nH]2)c2ccccc2C1.O=C(c1ccc(Cl)cc1)N1CC(=O)N(Cc2cccc(CN3CCCC3)c2)c2ccccc2C1
InChIInChI=1S/C29H33ClN4O2.C28H28ClN3O2.C27H24Cl2N4O2.C27H24ClFN4O2.C24H19ClN4O2.4C2HF3O2.CH4/c1-31(2)15-16-32(3)18-22-7-6-8-23(17-22)19-34-27-10-5-4-9-25(27)20-33(21-28(34)35)29(36)24-11-13-26(30)14-12-24;29-25-12-10-23(11-13-25)28(34)31-19-24-8-1-2-9-26(24)32(27(33)20-31)18-22-7-5-6-21(16-22)17-30-14-3-4-15-30;2*1-31-13-12-30-26(31)19-6-7-20(23(29)14-19)16-33-24-5-3-2-4-21(24)15-32(17-25(33)34)27(35)18-8-10-22(28)11-9-18;25-19-7-5-16(6-8-19)24(31)28-13-17-3-1-2-4-22(17)29(23(30)15-28)14-20-11-18-12-26-10-9-21(18)27-20;4*3-2(4,5)1(6)7;/h4-14,17H,15-16,18-21H2,1-3H3;1-2,5-13,16H,3-4,14-15,17-20H2;2*2-11,14H,12-13,15-17H2,1H3;1-12,27H,13-15H2;4*(H,6,7);1H4
InChIKeyOTGYUPNJXNBQSH-UHFFFAOYSA-N
XLogP26.46
TPSA421.90 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002880.48
LogP ≤ 526.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

4-(4-chlorobenzoyl)-1-[[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one
CID 22632368
4-(4-chlorobenzoyl)-1-[[4-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;3-[4-(4-chlorobenzoyl)-2-oxo-1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-8-yl]propanoic acid;ethyl 3-[4-(4-chlorobenzoyl)-2-oxo-1-[[4-(pyrrolidine-1-carboximidoyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-8-yl]propanoate;methane;tetrakis(2,2,2-trifluoroacetic acid)
CID 160991989
4-(4-chlorobenzoyl)-1-(isoquinolin-7-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one
CID 22632594
4-[[4-(4-chlorobenzoyl)-2-oxo-3,5-dihydropyrido[4,3-e][1,4]diazepin-1-yl]methyl]benzonitrile;2,2,2-trifluoroacetic acid
CID 22632479
4-(4-chlorobenzoyl)-1-[[4-(2,5-dihydropyrrole-1-carboximidoyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;2,2,2-trifluoroacetic acid
CID 22632603
4-(4-chlorobenzoyl)-1-[[4-(2,5-dihydropyrrole-1-carbonyl)phenyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 22632632
4-[4-(aminomethyl)benzoyl]-1-[[4-(2,5-dihydropyrrole-1-carbonyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;2,2,2-trifluoroacetic acid
CID 22632365
4-(4-chlorobenzoyl)-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-3,5-dihydro-1,4-benzodiazepin-2-one;2,2,2-trifluoroacetic acid
CID 22632500
4-[[4-(4-chlorobenzoyl)-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzenecarboximidamide
CID 22632344
7-chloro-4-(4-chlorobenzoyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;2,2,2-trifluoroacetic acid
CID 22632495
2-[4-(4-chlorobenzoyl)-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]-N-pyridin-3-ylacetamide;2-[4-(4-chlorobenzoyl)-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]-N-pyridin-4-ylacetamide;2-[4-(4-chlorobenzoyl)-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide;8-chloro-4-(4-chlorobenzoyl)-1-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;8-chloro-4-(4-chlorobenzoyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;pentakis(2,2,2-trifluoroacetic acid)
CID 159518621
(3aS,6aR)-1'-(4-chlorobenzoyl)-2-methyl-5-(pyridin-3-ylmethyl)spiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1-one;2,2,2-trifluoroacetic acid
CID 172894487

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid) (CID 162026658) is 4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid) is C.CN(C)CCN(C)Cc1cccc(CN2C(=O)CN(C(=O)c3ccc(Cl)cc3)Cc3ccccc32)c1.CN1CCN=C1c1ccc(CN2C(=O)CN(C(=O)c3ccc(Cl)cc3)Cc3ccccc32)c(Cl)c1.CN1CCN=C1c1ccc(CN2C(=O)CN(C(=O)c3ccc(Cl)cc3)Cc3ccccc32)c(F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1ccc(Cl)cc1)N1CC(=O)N(Cc2cc3cnccc3[nH]2)c2ccccc2C1.O=C(c1ccc(Cl)cc1)N1CC(=O)N(Cc2cccc(CN3CCCC3)c2)c2ccccc2C1.
What is the InChIKey of 4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid)?
The InChIKey is OTGYUPNJXNBQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN4O2.C28H28ClN3O2.C27H24Cl2N4O2.C27H24ClFN4O2.C24H19ClN4O2.4C2HF3O2.CH4/c1-31(2)15-16-32(3)18-22-7-6-8-23(17-22)19-34-27-10-5-4-9-25(27)20-33(21-28(34)35)29(36)24-11-13-26(30)14-12-24;29-25-12-10-23(11-13-25)28(34)31-19-24-8-1-2-9-26(24)32(27(33)20-31)18-22-7-5-6-21(16-22)17-30-14-3-4-15-30;2*1-31-13-12-30-26(31)19-6-7-20(23(29)14-19)16-33-24-5-3-2-4-21(24)15-32(17-25(33)34)27(35)18-8-10-22(28)11-9-18;25-19-7-5-16(6-8-19)24(31)28-13-17-3-1-2-4-22(17)29(23(30)15-28)14-20-11-18-12-26-10-9-21(18)27-20;4*3-2(4,5)1(6)7;/h4-14,17H,15-16,18-21H2,1-3H3;1-2,5-13,16H,3-4,14-15,17-20H2;2*2-11,14H,12-13,15-17H2,1H3;1-12,27H,13-15H2;4*(H,6,7);1H4.
What are the key properties of 4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid)?
4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2880.48 g/mol, XLogP of 26.46, 24 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobenzoyl)-1-[[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-(4-chlorobenzoyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one;methane;tetrakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 162026658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).