2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide

C206H165Cl14N37O21 — CID 157174841

IUPAC2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide
SMILESCN(C)c1ccc2nc(-c3cc(NC(=O)c4ccc(CNc5ccc(/C=C/C(=O)NO)cc5)cc4Cl)ccc3Cl)[nH]c2c1.CN(C)c1ccc2nc(-c3cc(NC(=O)c4ccc(CNc5cccc(/C=C/C(=O)NO)c5)cc4Cl)ccc3Cl)[nH]c2c1.O=C(/C=C/c1ccc(NCc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)cc1)NO.O=C(/C=C/c1ccc(NCc2ccc(C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)c(Cl)c2)cc1)NO.O=C(/C=C/c1cccc(NCc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)c1)NO.O=C(/C=C/c1cccc(NCc2ccc(C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)c(Cl)c2)c1)NO.O=C(NO)c1cnc(NCc2ccc(C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)c(Cl)c2)nc1
InChIInChI=1S/2C32H28Cl2N6O3.2C30H23Cl2N5O3.2C28H22Cl2N4O3.C26H19Cl2N7O3/c1-40(2)23-10-13-28-29(17-23)38-31(37-28)25-16-22(9-12-26(25)33)36-32(42)24-11-5-20(15-27(24)34)18-35-21-7-3-19(4-8-21)6-14-30(41)39-43;1-40(2)23-9-12-28-29(17-23)38-31(37-28)25-16-22(8-11-26(25)33)36-32(42)24-10-6-20(15-27(24)34)18-35-21-5-3-4-19(14-21)7-13-30(41)39-43;31-24-12-10-21(16-23(24)29-35-26-6-1-2-7-27(26)36-29)34-30(39)22-11-8-19(15-25(22)32)17-33-20-5-3-4-18(14-20)9-13-28(38)37-40;31-24-13-11-21(16-23(24)29-35-26-3-1-2-4-27(26)36-29)34-30(39)22-12-7-19(15-25(22)32)17-33-20-9-5-18(6-10-20)8-14-28(38)37-40;29-24-11-9-21(16-23(24)26-6-1-2-13-31-26)33-28(36)22-10-7-19(15-25(22)30)17-32-20-5-3-4-18(14-20)8-12-27(35)34-37;29-24-12-10-21(16-23(24)26-3-1-2-14-31-26)33-28(36)22-11-6-19(15-25(22)30)17-32-20-8-4-18(5-9-20)7-13-27(35)34-37;27-19-8-6-16(10-18(19)23-33-21-3-1-2-4-22(21)34-23)32-25(37)17-7-5-14(9-20(17)28)11-29-26-30-12-15(13-31-26)24(36)35-38/h2*3-17,35,43H,18H2,1-2H3,(H,36,42)(H,37,38)(H,39,41);2*1-16,33,40H,17H2,(H,34,39)(H,35,36)(H,37,38);2*1-16,32,37H,17H2,(H,33,36)(H,34,35);1-10,12-13,38H,11H2,(H,32,37)(H,33,34)(H,35,36)(H,29,30,31)/b14-6+;13-7+;13-9+;14-8+;12-8+;13-7+;
InChIKeyANWSUFAMKZZZOF-UIJMEBBQSA-N
MW3991.17 g/mol
LogP46.00
Rot. Bonds57

About 2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide

2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide (PubChem CID 157174841) has the molecular formula C206H165Cl14N37O21 and a molecular weight of 3991.17 g/mol. Its IUPAC name is 2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide.

Molecular Properties

Compound Name2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide
PubChem CID157174841
Molecular FormulaC206H165Cl14N37O21
Molecular Weight3991.17 g/mol
Exact Mass3981.86
IUPAC Name2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide
SMILESCN(C)c1ccc2nc(-c3cc(NC(=O)c4ccc(CNc5ccc(/C=C/C(=O)NO)cc5)cc4Cl)ccc3Cl)[nH]c2c1.CN(C)c1ccc2nc(-c3cc(NC(=O)c4ccc(CNc5cccc(/C=C/C(=O)NO)c5)cc4Cl)ccc3Cl)[nH]c2c1.O=C(/C=C/c1ccc(NCc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)cc1)NO.O=C(/C=C/c1ccc(NCc2ccc(C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)c(Cl)c2)cc1)NO.O=C(/C=C/c1cccc(NCc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)c1)NO.O=C(/C=C/c1cccc(NCc2ccc(C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)c(Cl)c2)c1)NO.O=C(NO)c1cnc(NCc2ccc(C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)c(Cl)c2)nc1
InChIInChI=1S/2C32H28Cl2N6O3.2C30H23Cl2N5O3.2C28H22Cl2N4O3.C26H19Cl2N7O3/c1-40(2)23-10-13-28-29(17-23)38-31(37-28)25-16-22(9-12-26(25)33)36-32(42)24-11-5-20(15-27(24)34)18-35-21-7-3-19(4-8-21)6-14-30(41)39-43;1-40(2)23-9-12-28-29(17-23)38-31(37-28)25-16-22(8-11-26(25)33)36-32(42)24-10-6-20(15-27(24)34)18-35-21-5-3-4-19(14-21)7-13-30(41)39-43;31-24-12-10-21(16-23(24)29-35-26-6-1-2-7-27(26)36-29)34-30(39)22-11-8-19(15-25(22)32)17-33-20-5-3-4-18(14-20)9-13-28(38)37-40;31-24-13-11-21(16-23(24)29-35-26-3-1-2-4-27(26)36-29)34-30(39)22-12-7-19(15-25(22)32)17-33-20-9-5-18(6-10-20)8-14-28(38)37-40;29-24-11-9-21(16-23(24)26-6-1-2-13-31-26)33-28(36)22-10-7-19(15-25(22)30)17-32-20-5-3-4-18(14-20)8-12-27(35)34-37;29-24-12-10-21(16-23(24)26-3-1-2-14-31-26)33-28(36)22-11-6-19(15-25(22)30)17-32-20-8-4-18(5-9-20)7-13-27(35)34-37;27-19-8-6-16(10-18(19)23-33-21-3-1-2-4-22(21)34-23)32-25(37)17-7-5-14(9-20(17)28)11-29-26-30-12-15(13-31-26)24(36)35-38/h2*3-17,35,43H,18H2,1-2H3,(H,36,42)(H,37,38)(H,39,41);2*1-16,33,40H,17H2,(H,34,39)(H,35,36)(H,37,38);2*1-16,32,37H,17H2,(H,33,36)(H,34,35);1-10,12-13,38H,11H2,(H,32,37)(H,33,34)(H,35,36)(H,29,30,31)/b14-6+;13-7+;13-9+;14-8+;12-8+;13-7+;
InChIKeyANWSUFAMKZZZOF-UIJMEBBQSA-N
XLogP46.00
TPSA834.66 Ų
H-Bond Donors33
H-Bond Acceptors39
Rotatable Bonds57
Heavy Atoms278
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003991.17
LogP ≤ 546.00
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1039

Analyze 2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide with MolForge

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Related Compounds

N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;O-methylhydroxylamine;1-(4-nitrophenyl)pyrrole;2-nitro-5-pyrrol-1-ylaniline;hydrochloride
CID 157671597
N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-4-(trifluoromethyl)benzamide;O-methylhydroxylamine;1-(4-nitrophenyl)pyrrole;2-nitro-5-pyrrol-1-ylaniline;hydrochloride
CID 158302660
N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]pyridine-2-carboxamide;N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide;N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;3,4-dichloro-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide
CID 158515616
bis(N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide);N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 160334547
N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 160500984
N-[4-chloro-3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(4,5-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 160637879
2-[[3-chloro-4-[[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 89931001
2-[[3-chloro-4-[[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]carbamoyl]phenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 89931004
4-amino-1H-imidazole-5-carboxamide;4-[(3-chlorobenzoyl)amino]-1H-imidazole-5-carboxamide;6-chloro-2-(3-chlorophenyl)-7H-purine;2-(3-chlorophenyl)-1,7-dihydropurin-6-one;2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;methane;molecular iodine;triiodide;hydroiodide
CID 157052159
CID 157093604
CID 157093604
2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 157133077
8-chloro-3-[(1S)-1-[(2-deuterio-1H-imidazo[4,5-c]pyridin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[(2-methyl-7H-purin-6-yl)amino]ethyl]-2-phenylisoquinolin-1-one;bis(8-chloro-3-[(1S)-1-[(8-methyl-7H-purin-6-yl)amino]ethyl]-2-phenylisoquinolin-1-one);8-chloro-3-[(1S)-1-[(9-methylpurin-6-yl)amino]ethyl]-2-phenylisoquinolin-1-one
CID 157393113

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide?
The IUPAC name of 2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide (CID 157174841) is 2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide.
What is the SMILES notation for 2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide?
The canonical SMILES for 2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide is CN(C)c1ccc2nc(-c3cc(NC(=O)c4ccc(CNc5ccc(/C=C/C(=O)NO)cc5)cc4Cl)ccc3Cl)[nH]c2c1.CN(C)c1ccc2nc(-c3cc(NC(=O)c4ccc(CNc5cccc(/C=C/C(=O)NO)c5)cc4Cl)ccc3Cl)[nH]c2c1.O=C(/C=C/c1ccc(NCc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)cc1)NO.O=C(/C=C/c1ccc(NCc2ccc(C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)c(Cl)c2)cc1)NO.O=C(/C=C/c1cccc(NCc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)c1)NO.O=C(/C=C/c1cccc(NCc2ccc(C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)c(Cl)c2)c1)NO.O=C(NO)c1cnc(NCc2ccc(C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)c(Cl)c2)nc1.
What is the InChIKey of 2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide?
The InChIKey is ANWSUFAMKZZZOF-UIJMEBBQSA-N. The full InChI is InChI=1S/2C32H28Cl2N6O3.2C30H23Cl2N5O3.2C28H22Cl2N4O3.C26H19Cl2N7O3/c1-40(2)23-10-13-28-29(17-23)38-31(37-28)25-16-22(9-12-26(25)33)36-32(42)24-11-5-20(15-27(24)34)18-35-21-7-3-19(4-8-21)6-14-30(41)39-43;1-40(2)23-9-12-28-29(17-23)38-31(37-28)25-16-22(8-11-26(25)33)36-32(42)24-10-6-20(15-27(24)34)18-35-21-5-3-4-19(14-21)7-13-30(41)39-43;31-24-12-10-21(16-23(24)29-35-26-6-1-2-7-27(26)36-29)34-30(39)22-11-8-19(15-25(22)32)17-33-20-5-3-4-18(14-20)9-13-28(38)37-40;31-24-13-11-21(16-23(24)29-35-26-3-1-2-4-27(26)36-29)34-30(39)22-12-7-19(15-25(22)32)17-33-20-9-5-18(6-10-20)8-14-28(38)37-40;29-24-11-9-21(16-23(24)26-6-1-2-13-31-26)33-28(36)22-10-7-19(15-25(22)30)17-32-20-5-3-4-18(14-20)8-12-27(35)34-37;29-24-12-10-21(16-23(24)26-3-1-2-14-31-26)33-28(36)22-11-6-19(15-25(22)30)17-32-20-8-4-18(5-9-20)7-13-27(35)34-37;27-19-8-6-16(10-18(19)23-33-21-3-1-2-4-22(21)34-23)32-25(37)17-7-5-14(9-20(17)28)11-29-26-30-12-15(13-31-26)24(36)35-38/h2*3-17,35,43H,18H2,1-2H3,(H,36,42)(H,37,38)(H,39,41);2*1-16,33,40H,17H2,(H,34,39)(H,35,36)(H,37,38);2*1-16,32,37H,17H2,(H,33,36)(H,34,35);1-10,12-13,38H,11H2,(H,32,37)(H,33,34)(H,35,36)(H,29,30,31)/b14-6+;13-7+;13-9+;14-8+;12-8+;13-7+;.
What are the key properties of 2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide?
2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide has a molecular weight of 3991.17 g/mol, XLogP of 46.00, 57 rotatable bonds, 33 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamoyl]-3-chlorophenyl]methylamino]-N-hydroxypyrimidine-5-carboxamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloro-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]anilino]methyl]benzamide is sourced from PubChem (CID 157174841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).