3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

C163H225N19O5 — CID 161256036

IUPAC3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCC(C)CCN(Cc1nc2ccccc2n1C1CCCC1)C(=O)c1cccc(CN2CCc3ccccc3C2)c1.CC(C)CCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccc(CNC2CCCCC2)c1.CCC(Cc1cccc(C(=O)N(CCC(C)C)Cc2nc3ccccc3n2C2CCCC2)c1)C(C)C.CCCCCCN(C)Cc1cccc(C(=O)N(CCC(C)C)Cc2nc3ccccc3n2C2CCCC2)c1.CCCCN(CCCC)Cc1cccc(C(=O)N(CCC(C)C)Cc2nc3ccccc3n2CCC)c1
InChIInChI=1S/C35H42N4O.C33H48N4O.C32H48N4O.C32H45N3O.C31H42N4O/c1-26(2)18-21-38(25-34-36-32-16-7-8-17-33(32)39(34)31-14-5-6-15-31)35(40)29-13-9-10-27(22-29)23-37-20-19-28-11-3-4-12-30(28)24-37;1-5-6-7-12-21-35(4)24-27-14-13-15-28(23-27)33(38)36(22-20-26(2)3)25-32-34-30-18-10-11-19-31(30)37(32)29-16-8-9-17-29;1-6-9-20-34(21-10-7-2)24-27-14-13-15-28(23-27)32(37)35(22-18-26(4)5)25-31-33-29-16-11-12-17-30(29)36(31)19-8-3;1-6-26(24(4)5)20-25-12-11-13-27(21-25)32(36)34(19-18-23(2)3)22-31-33-29-16-9-10-17-30(29)35(31)28-14-7-8-15-28;1-23(2)17-18-34(22-30-33-28-13-6-7-14-29(28)35(30)21-24-15-16-24)31(36)26-10-8-9-25(19-26)20-32-27-11-4-3-5-12-27/h3-4,7-13,16-17,22,26,31H,5-6,14-15,18-21,23-25H2,1-2H3;10-11,13-15,18-19,23,26,29H,5-9,12,16-17,20-22,24-25H2,1-4H3;11-17,23,26H,6-10,18-22,24-25H2,1-5H3;9-13,16-17,21,23-24,26,28H,6-8,14-15,18-20,22H2,1-5H3;6-10,13-14,19,23-24,27,32H,3-5,11-12,15-18,20-22H2,1-2H3
InChIKeyVBXUFOYOLZLOCQ-UHFFFAOYSA-N
MW2530.72 g/mol
LogP37.41
Rot. Bonds61

About 3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 161256036) has the molecular formula C163H225N19O5 and a molecular weight of 2530.72 g/mol. Its IUPAC name is 3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
PubChem CID161256036
Molecular FormulaC163H225N19O5
Molecular Weight2530.72 g/mol
Exact Mass2528.79
IUPAC Name3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCC(C)CCN(Cc1nc2ccccc2n1C1CCCC1)C(=O)c1cccc(CN2CCc3ccccc3C2)c1.CC(C)CCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccc(CNC2CCCCC2)c1.CCC(Cc1cccc(C(=O)N(CCC(C)C)Cc2nc3ccccc3n2C2CCCC2)c1)C(C)C.CCCCCCN(C)Cc1cccc(C(=O)N(CCC(C)C)Cc2nc3ccccc3n2C2CCCC2)c1.CCCCN(CCCC)Cc1cccc(C(=O)N(CCC(C)C)Cc2nc3ccccc3n2CCC)c1
InChIInChI=1S/C35H42N4O.C33H48N4O.C32H48N4O.C32H45N3O.C31H42N4O/c1-26(2)18-21-38(25-34-36-32-16-7-8-17-33(32)39(34)31-14-5-6-15-31)35(40)29-13-9-10-27(22-29)23-37-20-19-28-11-3-4-12-30(28)24-37;1-5-6-7-12-21-35(4)24-27-14-13-15-28(23-27)33(38)36(22-20-26(2)3)25-32-34-30-18-10-11-19-31(30)37(32)29-16-8-9-17-29;1-6-9-20-34(21-10-7-2)24-27-14-13-15-28(23-27)32(37)35(22-18-26(4)5)25-31-33-29-16-11-12-17-30(29)36(31)19-8-3;1-6-26(24(4)5)20-25-12-11-13-27(21-25)32(36)34(19-18-23(2)3)22-31-33-29-16-9-10-17-30(29)35(31)28-14-7-8-15-28;1-23(2)17-18-34(22-30-33-28-13-6-7-14-29(28)35(30)21-24-15-16-24)31(36)26-10-8-9-25(19-26)20-32-27-11-4-3-5-12-27/h3-4,7-13,16-17,22,26,31H,5-6,14-15,18-21,23-25H2,1-2H3;10-11,13-15,18-19,23,26,29H,5-9,12,16-17,20-22,24-25H2,1-4H3;11-17,23,26H,6-10,18-22,24-25H2,1-5H3;9-13,16-17,21,23-24,26,28H,6-8,14-15,18-20,22H2,1-5H3;6-10,13-14,19,23-24,27,32H,3-5,11-12,15-18,20-22H2,1-2H3
InChIKeyVBXUFOYOLZLOCQ-UHFFFAOYSA-N
XLogP37.41
TPSA212.40 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds61
Heavy Atoms187
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002530.72
LogP ≤ 537.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (CID 161256036) is 3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is CC(C)CCN(Cc1nc2ccccc2n1C1CCCC1)C(=O)c1cccc(CN2CCc3ccccc3C2)c1.CC(C)CCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccc(CNC2CCCCC2)c1.CCC(Cc1cccc(C(=O)N(CCC(C)C)Cc2nc3ccccc3n2C2CCCC2)c1)C(C)C.CCCCCCN(C)Cc1cccc(C(=O)N(CCC(C)C)Cc2nc3ccccc3n2C2CCCC2)c1.CCCCN(CCCC)Cc1cccc(C(=O)N(CCC(C)C)Cc2nc3ccccc3n2CCC)c1.
What is the InChIKey of 3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is VBXUFOYOLZLOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N4O.C33H48N4O.C32H48N4O.C32H45N3O.C31H42N4O/c1-26(2)18-21-38(25-34-36-32-16-7-8-17-33(32)39(34)31-14-5-6-15-31)35(40)29-13-9-10-27(22-29)23-37-20-19-28-11-3-4-12-30(28)24-37;1-5-6-7-12-21-35(4)24-27-14-13-15-28(23-27)33(38)36(22-20-26(2)3)25-32-34-30-18-10-11-19-31(30)37(32)29-16-8-9-17-29;1-6-9-20-34(21-10-7-2)24-27-14-13-15-28(23-27)32(37)35(22-18-26(4)5)25-31-33-29-16-11-12-17-30(29)36(31)19-8-3;1-6-26(24(4)5)20-25-12-11-13-27(21-25)32(36)34(19-18-23(2)3)22-31-33-29-16-9-10-17-30(29)35(31)28-14-7-8-15-28;1-23(2)17-18-34(22-30-33-28-13-6-7-14-29(28)35(30)21-24-15-16-24)31(36)26-10-8-9-25(19-26)20-32-27-11-4-3-5-12-27/h3-4,7-13,16-17,22,26,31H,5-6,14-15,18-21,23-25H2,1-2H3;10-11,13-15,18-19,23,26,29H,5-9,12,16-17,20-22,24-25H2,1-4H3;11-17,23,26H,6-10,18-22,24-25H2,1-5H3;9-13,16-17,21,23-24,26,28H,6-8,14-15,18-20,22H2,1-5H3;6-10,13-14,19,23-24,27,32H,3-5,11-12,15-18,20-22H2,1-2H3.
What are the key properties of 3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 2530.72 g/mol, XLogP of 37.41, 61 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclohexylamino)methyl]-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-(2-ethyl-3-methylbutyl)-N-(3-methylbutyl)benzamide;N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3-[[hexyl(methyl)amino]methyl]-N-(3-methylbutyl)benzamide;3-[(dibutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 161256036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).