N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea

C205H251N43O13 — CID 160557892

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea
SMILESCC(NC(=O)N(CCCN1CCOCC1)Cc1ccc(CCNCc2ncc[nH]2)cc1)c1cccc2ccccc12.CC(NC(=O)N(CCCN1CCOCC1)Cc1ccc(CCNc2ncccn2)cc1)c1cccc2ccccc12.CCOCCN1CCN(Cc2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2)CC1.CN(C)CCN(CCN(C)C)Cc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1.COCCN(CCOC)Cc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1.O=C(NCc1nc2ccccc2[nH]1)c1ccc(CN2CCNCCNCCNCC2)cc1.O=C(NCc1nc2ccccc2[nH]1)c1ccc(CNCc2ccccc2)cc1.O=C(NCc1nc2ccccc2[nH]1)c1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C33H40N6O2.C33H42N6O2.C24H33N7O.C24H34N6O.C24H31N5O2.C23H22N4O.C22H21N5O.C22H28N4O3/c1-26(30-10-4-8-29-7-2-3-9-31(29)30)37-33(40)39(20-6-19-38-21-23-41-24-22-38)25-28-13-11-27(12-14-28)15-18-36-32-34-16-5-17-35-32;1-26(30-9-4-7-29-6-2-3-8-31(29)30)37-33(40)39(19-5-18-38-20-22-41-23-21-38)25-28-12-10-27(11-13-28)14-15-34-24-32-35-16-17-36-32;32-24(28-17-23-29-21-3-1-2-4-22(21)30-23)20-7-5-19(6-8-20)18-31-15-13-26-11-9-25-10-12-27-14-16-31;1-28(2)13-15-30(16-14-29(3)4)18-19-9-11-20(12-10-19)24(31)25-17-23-26-21-7-5-6-8-22(21)27-23;1-2-31-16-15-28-11-13-29(14-12-28)18-19-7-9-20(10-8-19)24(30)25-17-23-26-21-5-3-4-6-22(21)27-23;28-23(25-16-22-26-20-8-4-5-9-21(20)27-22)19-12-10-18(11-13-19)15-24-14-17-6-2-1-3-7-17;28-22(25-15-21-26-19-6-1-2-7-20(19)27-21)17-10-8-16(9-11-17)13-23-14-18-5-3-4-12-24-18;1-28-13-11-26(12-14-29-2)16-17-7-9-18(10-8-17)22(27)23-15-21-24-19-5-3-4-6-20(19)25-21/h2-5,7-14,16-17,26H,6,15,18-25H2,1H3,(H,37,40)(H,34,35,36);2-4,6-13,16-17,26,34H,5,14-15,18-25H2,1H3,(H,35,36)(H,37,40);1-8,25-27H,9-18H2,(H,28,32)(H,29,30);5-12H,13-18H2,1-4H3,(H,25,31)(H,26,27);3-10H,2,11-18H2,1H3,(H,25,30)(H,26,27);1-13,24H,14-16H2,(H,25,28)(H,26,27);1-12,23H,13-15H2,(H,25,28)(H,26,27);3-10H,11-16H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyQYXULRJGZMXYID-UHFFFAOYSA-N
MW3525.55 g/mol
LogP25.86
Rot. Bonds75

About N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea

N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea (PubChem CID 160557892) has the molecular formula C205H251N43O13 and a molecular weight of 3525.55 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea
PubChem CID160557892
Molecular FormulaC205H251N43O13
Molecular Weight3525.55 g/mol
Exact Mass3523.03
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea
SMILESCC(NC(=O)N(CCCN1CCOCC1)Cc1ccc(CCNCc2ncc[nH]2)cc1)c1cccc2ccccc12.CC(NC(=O)N(CCCN1CCOCC1)Cc1ccc(CCNc2ncccn2)cc1)c1cccc2ccccc12.CCOCCN1CCN(Cc2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2)CC1.CN(C)CCN(CCN(C)C)Cc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1.COCCN(CCOC)Cc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1.O=C(NCc1nc2ccccc2[nH]1)c1ccc(CN2CCNCCNCCNCC2)cc1.O=C(NCc1nc2ccccc2[nH]1)c1ccc(CNCc2ccccc2)cc1.O=C(NCc1nc2ccccc2[nH]1)c1ccc(CNCc2ccccn2)cc1
InChIInChI=1S/C33H40N6O2.C33H42N6O2.C24H33N7O.C24H34N6O.C24H31N5O2.C23H22N4O.C22H21N5O.C22H28N4O3/c1-26(30-10-4-8-29-7-2-3-9-31(29)30)37-33(40)39(20-6-19-38-21-23-41-24-22-38)25-28-13-11-27(12-14-28)15-18-36-32-34-16-5-17-35-32;1-26(30-9-4-7-29-6-2-3-8-31(29)30)37-33(40)39(19-5-18-38-20-22-41-23-21-38)25-28-12-10-27(11-13-28)14-15-34-24-32-35-16-17-36-32;32-24(28-17-23-29-21-3-1-2-4-22(21)30-23)20-7-5-19(6-8-20)18-31-15-13-26-11-9-25-10-12-27-14-16-31;1-28(2)13-15-30(16-14-29(3)4)18-19-9-11-20(12-10-19)24(31)25-17-23-26-21-7-5-6-8-22(21)27-23;1-2-31-16-15-28-11-13-29(14-12-28)18-19-7-9-20(10-8-19)24(30)25-17-23-26-21-5-3-4-6-22(21)27-23;28-23(25-16-22-26-20-8-4-5-9-21(20)27-22)19-12-10-18(11-13-19)15-24-14-17-6-2-1-3-7-17;28-22(25-15-21-26-19-6-1-2-7-20(19)27-21)17-10-8-16(9-11-17)13-23-14-18-5-3-4-12-24-18;1-28-13-11-26(12-14-29-2)16-17-7-9-18(10-8-17)22(27)23-15-21-24-19-5-3-4-6-20(19)25-21/h2-5,7-14,16-17,26H,6,15,18-25H2,1H3,(H,37,40)(H,34,35,36);2-4,6-13,16-17,26,34H,5,14-15,18-25H2,1H3,(H,35,36)(H,37,40);1-8,25-27H,9-18H2,(H,28,32)(H,29,30);5-12H,13-18H2,1-4H3,(H,25,31)(H,26,27);3-10H,2,11-18H2,1H3,(H,25,30)(H,26,27);1-13,24H,14-16H2,(H,25,28)(H,26,27);1-12,23H,13-15H2,(H,25,28)(H,26,27);3-10H,11-16H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyQYXULRJGZMXYID-UHFFFAOYSA-N
XLogP25.86
TPSA638.23 Ų
H-Bond Donors22
H-Bond Acceptors39
Rotatable Bonds75
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003525.55
LogP ≤ 525.86
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea (CID 160557892) is N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea is CC(NC(=O)N(CCCN1CCOCC1)Cc1ccc(CCNCc2ncc[nH]2)cc1)c1cccc2ccccc12.CC(NC(=O)N(CCCN1CCOCC1)Cc1ccc(CCNc2ncccn2)cc1)c1cccc2ccccc12.CCOCCN1CCN(Cc2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2)CC1.CN(C)CCN(CCN(C)C)Cc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1.COCCN(CCOC)Cc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1.O=C(NCc1nc2ccccc2[nH]1)c1ccc(CN2CCNCCNCCNCC2)cc1.O=C(NCc1nc2ccccc2[nH]1)c1ccc(CNCc2ccccc2)cc1.O=C(NCc1nc2ccccc2[nH]1)c1ccc(CNCc2ccccn2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea?
The InChIKey is QYXULRJGZMXYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N6O2.C33H42N6O2.C24H33N7O.C24H34N6O.C24H31N5O2.C23H22N4O.C22H21N5O.C22H28N4O3/c1-26(30-10-4-8-29-7-2-3-9-31(29)30)37-33(40)39(20-6-19-38-21-23-41-24-22-38)25-28-13-11-27(12-14-28)15-18-36-32-34-16-5-17-35-32;1-26(30-9-4-7-29-6-2-3-8-31(29)30)37-33(40)39(19-5-18-38-20-22-41-23-21-38)25-28-12-10-27(11-13-28)14-15-34-24-32-35-16-17-36-32;32-24(28-17-23-29-21-3-1-2-4-22(21)30-23)20-7-5-19(6-8-20)18-31-15-13-26-11-9-25-10-12-27-14-16-31;1-28(2)13-15-30(16-14-29(3)4)18-19-9-11-20(12-10-19)24(31)25-17-23-26-21-7-5-6-8-22(21)27-23;1-2-31-16-15-28-11-13-29(14-12-28)18-19-7-9-20(10-8-19)24(30)25-17-23-26-21-5-3-4-6-22(21)27-23;28-23(25-16-22-26-20-8-4-5-9-21(20)27-22)19-12-10-18(11-13-19)15-24-14-17-6-2-1-3-7-17;28-22(25-15-21-26-19-6-1-2-7-20(19)27-21)17-10-8-16(9-11-17)13-23-14-18-5-3-4-12-24-18;1-28-13-11-26(12-14-29-2)16-17-7-9-18(10-8-17)22(27)23-15-21-24-19-5-3-4-6-20(19)25-21/h2-5,7-14,16-17,26H,6,15,18-25H2,1H3,(H,37,40)(H,34,35,36);2-4,6-13,16-17,26,34H,5,14-15,18-25H2,1H3,(H,35,36)(H,37,40);1-8,25-27H,9-18H2,(H,28,32)(H,29,30);5-12H,13-18H2,1-4H3,(H,25,31)(H,26,27);3-10H,2,11-18H2,1H3,(H,25,30)(H,26,27);1-13,24H,14-16H2,(H,25,28)(H,26,27);1-12,23H,13-15H2,(H,25,28)(H,26,27);3-10H,11-16H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea?
N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea has a molecular weight of 3525.55 g/mol, XLogP of 25.86, 75 rotatable bonds, 22 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis[2-(dimethylamino)ethyl]amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzamide;1-[[4-[2-(1H-imidazol-2-ylmethylamino)ethyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]methyl]urea is sourced from PubChem (CID 160557892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).