N-(3-aminopropyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[2-(benzylamino)ethyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-methylbenzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide;N-benzyl-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzamide;N,N-dibenzyl-4-[(pyrimidin-2-ylamino)methyl]benzamide;N,N-dibenzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide

C151H158F3N27O7 — CID 157116976

About N-(3-aminopropyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[2-(benzylamino)ethyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-methylbenzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide;N-benzyl-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzamide;N,N-dibenzyl-4-[(pyrimidin-2-ylamino)methyl]benzamide;N,N-dibenzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide

N-(3-aminopropyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[2-(benzylamino)ethyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-methylbenzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide;N-benzyl-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzamide;N,N-dibenzyl-4-[(pyrimidin-2-ylamino)methyl]benzamide;N,N-dibenzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide (PubChem CID 157116976) has the molecular formula C151H158F3N27O7 and a molecular weight of 2520.10 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[2-(benzylamino)ethyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-methylbenzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide;N-benzyl-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzamide;N,N-dibenzyl-4-[(pyrimidin-2-ylamino)methyl]benzamide;N,N-dibenzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide.

Molecular Properties

• Compound Name: N-(3-aminopropyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[2-(benzylamino)ethyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-methylbenzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide;N-benzyl-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzamide;N,N-dibenzyl-4-[(pyrimidin-2-ylamino)methyl]benzamide;N,N-dibenzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
• PubChem CID: 157116976
• Molecular Formula: C151H158F3N27O7
• Molecular Weight: 2520.10 g/mol
• Exact Mass: 2518.28
• IUPAC Name: N-(3-aminopropyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[2-(benzylamino)ethyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-methylbenzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide;N-benzyl-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzamide;N,N-dibenzyl-4-[(pyrimidin-2-ylamino)methyl]benzamide;N,N-dibenzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
• SMILES: CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(CNCc2ccccc2)cc1.NCCCN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(CCNCc2ccccc2)cc1.O=C(NCc1ccccc1)c1ccc(CN2CCCNCCNCCCNCC2)cc1.O=C(NCc1ccccn1)c1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1.O=C(c1ccc(CNc2nccc(C(F)(F)F)n2)cc1)N(Cc1ccccc1)Cc1ccccc1.O=C(c1ccc(CNc2ncccn2)cc1)N(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C27H23F3N4O.C27H31N5O.C26H24N4O.C25H37N5O.C24H24N4O.C22H19N5O2/c28-27(29,30)24-15-16-31-26(33-24)32-17-20-11-13-23(14-12-20)25(35)34(18-21-7-3-1-4-8-21)19-22-9-5-2-6-10-22;28-16-6-18-32(20-26-30-24-9-4-5-10-25(24)31-26)27(33)23-13-11-21(12-14-23)15-17-29-19-22-7-2-1-3-8-22;31-25(24-14-12-21(13-15-24)18-29-26-27-16-7-17-28-26)30(19-22-8-3-1-4-9-22)20-23-10-5-2-6-11-23;31-25(29-20-22-6-2-1-3-7-22)24-10-8-23(9-11-24)21-30-18-5-14-27-16-15-26-12-4-13-28-17-19-30;1-28(17-23-26-21-9-5-6-10-22(21)27-23)24(29)20-13-11-19(12-14-20)16-25-15-18-7-3-2-4-8-18;28-21(24-13-17-5-3-4-12-23-17)15-8-10-16(11-9-15)22(29)25-14-20-26-18-6-1-2-7-19(18)27-20/h1-16H,17-19H2,(H,31,32,33);1-5,7-14,29H,6,15-20,28H2,(H,30,31);1-17H,18-20H2,(H,27,28,29);1-3,6-11,26-28H,4-5,12-21H2,(H,29,31);2-14,25H,15-17H2,1H3,(H,26,27);1-12H,13-14H2,(H,24,28)(H,25,29)(H,26,27)
• InChIKey: AHNFPINOQJBRFH-UHFFFAOYSA-N
• XLogP: 23.69
• TPSA: 432.50 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 24
• Rotatable Bonds: 45
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2520.10
LogP ≤ 5	23.69
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[2-(benzylamino)ethyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-methylbenzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide;N-benzyl-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzamide;N,N-dibenzyl-4-[(pyrimidin-2-ylamino)methyl]benzamide;N,N-dibenzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide?

The IUPAC name of N-(3-aminopropyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[2-(benzylamino)ethyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-methylbenzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide;N-benzyl-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzamide;N,N-dibenzyl-4-[(pyrimidin-2-ylamino)methyl]benzamide;N,N-dibenzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide (CID 157116976) is N-(3-aminopropyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[2-(benzylamino)ethyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-methylbenzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide;N-benzyl-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzamide;N,N-dibenzyl-4-[(pyrimidin-2-ylamino)methyl]benzamide;N,N-dibenzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide.

What is the SMILES notation for N-(3-aminopropyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[2-(benzylamino)ethyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-methylbenzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide;N-benzyl-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzamide;N,N-dibenzyl-4-[(pyrimidin-2-ylamino)methyl]benzamide;N,N-dibenzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide?

The canonical SMILES for N-(3-aminopropyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[2-(benzylamino)ethyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-methylbenzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide;N-benzyl-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzamide;N,N-dibenzyl-4-[(pyrimidin-2-ylamino)methyl]benzamide;N,N-dibenzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide is CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(CNCc2ccccc2)cc1.NCCCN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(CCNCc2ccccc2)cc1.O=C(NCc1ccccc1)c1ccc(CN2CCCNCCNCCCNCC2)cc1.O=C(NCc1ccccn1)c1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1.O=C(c1ccc(CNc2nccc(C(F)(F)F)n2)cc1)N(Cc1ccccc1)Cc1ccccc1.O=C(c1ccc(CNc2ncccn2)cc1)N(Cc1ccccc1)Cc1ccccc1.

What is the InChIKey of N-(3-aminopropyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[2-(benzylamino)ethyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-methylbenzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide;N-benzyl-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzamide;N,N-dibenzyl-4-[(pyrimidin-2-ylamino)methyl]benzamide;N,N-dibenzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide?

The InChIKey is AHNFPINOQJBRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O.C27H31N5O.C26H24N4O.C25H37N5O.C24H24N4O.C22H19N5O2/c28-27(29,30)24-15-16-31-26(33-24)32-17-20-11-13-23(14-12-20)25(35)34(18-21-7-3-1-4-8-21)19-22-9-5-2-6-10-22;28-16-6-18-32(20-26-30-24-9-4-5-10-25(24)31-26)27(33)23-13-11-21(12-14-23)15-17-29-19-22-7-2-1-3-8-22;31-25(24-14-12-21(13-15-24)18-29-26-27-16-7-17-28-26)30(19-22-8-3-1-4-9-22)20-23-10-5-2-6-11-23;31-25(29-20-22-6-2-1-3-7-22)24-10-8-23(9-11-24)21-30-18-5-14-27-16-15-26-12-4-13-28-17-19-30;1-28(17-23-26-21-9-5-6-10-22(21)27-23)24(29)20-13-11-19(12-14-20)16-25-15-18-7-3-2-4-8-18;28-21(24-13-17-5-3-4-12-23-17)15-8-10-16(11-9-15)22(29)25-14-20-26-18-6-1-2-7-19(18)27-20/h1-16H,17-19H2,(H,31,32,33);1-5,7-14,29H,6,15-20,28H2,(H,30,31);1-17H,18-20H2,(H,27,28,29);1-3,6-11,26-28H,4-5,12-21H2,(H,29,31);2-14,25H,15-17H2,1H3,(H,26,27);1-12H,13-14H2,(H,24,28)(H,25,29)(H,26,27).

What are the key properties of N-(3-aminopropyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[2-(benzylamino)ethyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-methylbenzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide;N-benzyl-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzamide;N,N-dibenzyl-4-[(pyrimidin-2-ylamino)methyl]benzamide;N,N-dibenzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide?

N-(3-aminopropyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[2-(benzylamino)ethyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-methylbenzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide;N-benzyl-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzamide;N,N-dibenzyl-4-[(pyrimidin-2-ylamino)methyl]benzamide;N,N-dibenzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide has a molecular weight of 2520.10 g/mol, XLogP of 23.69, 45 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminopropyl)-N-(1H-benzimidazol-2-ylmethyl)-4-[2-(benzylamino)ethyl]benzamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-methylbenzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide;N-benzyl-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzamide;N,N-dibenzyl-4-[(pyrimidin-2-ylamino)methyl]benzamide;N,N-dibenzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 157116976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).