N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide

C119H142F7N15O9 — CID 159081450

IUPACN-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide
SMILESCCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1ccc2c(c1)OCO2.CCCc1ccc(C(=O)N(Cc2nc3ccc(F)cc3n2CCC)CC(C)C)cc1.CCCn1c(CN(CC(C)C)C(=O)c2ccc(C(C)C)cc2)nc2ccc(F)cc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2ccc(F)cc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(F)cc2F)nc2ccc(F)cc21
InChIInChI=1S/2C25H32FN3O.C23H26F3N3O.2C23H26FN3O3/c1-6-13-29-23-14-21(26)11-12-22(23)27-24(29)16-28(15-17(2)3)25(30)20-9-7-19(8-10-20)18(4)5;1-5-7-19-8-10-20(11-9-19)25(30)28(16-18(3)4)17-24-27-22-13-12-21(26)15-23(22)29(24)14-6-2;1-4-10-29-21-13-17(25)6-8-20(21)27-22(29)14-28(11-9-15(2)3)23(30)18-7-5-16(24)12-19(18)26;1-4-9-27-19-11-17(24)6-7-18(19)25-22(27)13-26(12-15(2)3)23(28)16-5-8-20-21(10-16)30-14-29-20;1-3-5-11-26(23(28)16-6-9-20-21(12-16)30-15-29-20)14-22-25-18-8-7-17(24)13-19(18)27(22)10-4-2/h7-12,14,17-18H,6,13,15-16H2,1-5H3;8-13,15,18H,5-7,14,16-17H2,1-4H3;5-8,12-13,15H,4,9-11,14H2,1-3H3;5-8,10-11,15H,4,9,12-14H2,1-3H3;6-9,12-13H,3-5,10-11,14-15H2,1-2H3
InChIKeyKAXIFKAOFKTZCB-UHFFFAOYSA-N
MW2059.53 g/mol
LogP26.76
Rot. Bonds40

About N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide

N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide (PubChem CID 159081450) has the molecular formula C119H142F7N15O9 and a molecular weight of 2059.53 g/mol. Its IUPAC name is N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide.

Molecular Properties

Compound NameN-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide
PubChem CID159081450
Molecular FormulaC119H142F7N15O9
Molecular Weight2059.53 g/mol
Exact Mass2058.10
IUPAC NameN-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide
SMILESCCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1ccc2c(c1)OCO2.CCCc1ccc(C(=O)N(Cc2nc3ccc(F)cc3n2CCC)CC(C)C)cc1.CCCn1c(CN(CC(C)C)C(=O)c2ccc(C(C)C)cc2)nc2ccc(F)cc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2ccc(F)cc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(F)cc2F)nc2ccc(F)cc21
InChIInChI=1S/2C25H32FN3O.C23H26F3N3O.2C23H26FN3O3/c1-6-13-29-23-14-21(26)11-12-22(23)27-24(29)16-28(15-17(2)3)25(30)20-9-7-19(8-10-20)18(4)5;1-5-7-19-8-10-20(11-9-19)25(30)28(16-18(3)4)17-24-27-22-13-12-21(26)15-23(22)29(24)14-6-2;1-4-10-29-21-13-17(25)6-8-20(21)27-22(29)14-28(11-9-15(2)3)23(30)18-7-5-16(24)12-19(18)26;1-4-9-27-19-11-17(24)6-7-18(19)25-22(27)13-26(12-15(2)3)23(28)16-5-8-20-21(10-16)30-14-29-20;1-3-5-11-26(23(28)16-6-9-20-21(12-16)30-15-29-20)14-22-25-18-8-7-17(24)13-19(18)27(22)10-4-2/h7-12,14,17-18H,6,13,15-16H2,1-5H3;8-13,15,18H,5-7,14,16-17H2,1-4H3;5-8,12-13,15H,4,9-11,14H2,1-3H3;5-8,10-11,15H,4,9,12-14H2,1-3H3;6-9,12-13H,3-5,10-11,14-15H2,1-2H3
InChIKeyKAXIFKAOFKTZCB-UHFFFAOYSA-N
XLogP26.76
TPSA227.57 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds40
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002059.53
LogP ≤ 526.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide with MolForge

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Related Compounds

[1-[2-[3-(1,3-Benzodioxol-5-yl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanone
CID 10123138
(1-{2-[1-Benzoyl-3-(3,4-dimethoxy-phenyl)-pyrrolidin-3-yl]-ethyl}-piperidin-4-yl)-[1-(4-fluoro-benzyl)-1H-benzoimidazol-2-yl]-methanone
CID 10190056
[3-Benzo[1,3]dioxol-5-yl-3-(2-{4-[1-(4-fluoro-benzyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl}-ethyl)-pyrrolidin-1-yl]-(2,3,4-trimethoxy-phenyl)-methanone
CID 10190638
1-[3-Benzo[1,3]dioxol-5-yl-3-(2-{4-[1-(4-fluoro-benzyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl}-ethyl)-pyrrolidin-1-yl]-2-(3-isopropoxy-phenyl)-ethanone
CID 10283765
[3-(2,4-Difluoro-phenyl)-3-(2-{4-[1-(4-fluoro-benzyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl}-ethyl)-pyrrolidin-1-yl]-(3,4,5-trimethoxy-phenyl)-methanone
CID 10283825
[3-(2-{4-[1-(4-Fluoro-benzyl)-1H-benzoimidazole-2-carbonyl]-piperidin-1-yl}-ethyl)-3-(4-trifluoromethyl-phenyl)-pyrrolidin-1-yl]-(3,4,5-trimethoxy-phenyl)-methanone
CID 15542673
1-[1-(2H-1,3-Benzodioxole-5-carbonyl)piperidin-4-YL]-6-fluoro-2-phenyl-1H-1,3-benzodiazole
CID 46090264
1,3-Benzodioxol-5-yl-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 132454538
N-Methyl-N-(4-(4-(1-(4-fluorobenzyl)-1H-benzimidazole-2-carbonyl)piperidin-1-yl)-2-(3,4-dimethoxyphenyl)butyl)benzamide
CID 10168612
N-Methyl-N-(4-(4-(1-(4-fluorobenzyl)-1H-benzimidazole-2-carbonyl)piperidin-1-yl)-2-(benzo[1.3]dioxol-5-yl)butyl)benzamide
CID 10189708
N-[2-(1,3-benzodioxol-5-yl)-4-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
CID 15410391
N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 18733256

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide?
The IUPAC name of N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide (CID 159081450) is N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide.
What is the SMILES notation for N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide?
The canonical SMILES for N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide is CCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1ccc2c(c1)OCO2.CCCc1ccc(C(=O)N(Cc2nc3ccc(F)cc3n2CCC)CC(C)C)cc1.CCCn1c(CN(CC(C)C)C(=O)c2ccc(C(C)C)cc2)nc2ccc(F)cc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2ccc(F)cc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(F)cc2F)nc2ccc(F)cc21.
What is the InChIKey of N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide?
The InChIKey is KAXIFKAOFKTZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H32FN3O.C23H26F3N3O.2C23H26FN3O3/c1-6-13-29-23-14-21(26)11-12-22(23)27-24(29)16-28(15-17(2)3)25(30)20-9-7-19(8-10-20)18(4)5;1-5-7-19-8-10-20(11-9-19)25(30)28(16-18(3)4)17-24-27-22-13-12-21(26)15-23(22)29(24)14-6-2;1-4-10-29-21-13-17(25)6-8-20(21)27-22(29)14-28(11-9-15(2)3)23(30)18-7-5-16(24)12-19(18)26;1-4-9-27-19-11-17(24)6-7-18(19)25-22(27)13-26(12-15(2)3)23(28)16-5-8-20-21(10-16)30-14-29-20;1-3-5-11-26(23(28)16-6-9-20-21(12-16)30-15-29-20)14-22-25-18-8-7-17(24)13-19(18)27(22)10-4-2/h7-12,14,17-18H,6,13,15-16H2,1-5H3;8-13,15,18H,5-7,14,16-17H2,1-4H3;5-8,12-13,15H,4,9-11,14H2,1-3H3;5-8,10-11,15H,4,9,12-14H2,1-3H3;6-9,12-13H,3-5,10-11,14-15H2,1-2H3.
What are the key properties of N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide?
N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide has a molecular weight of 2059.53 g/mol, XLogP of 26.76, 40 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;2,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-propylbenzamide is sourced from PubChem (CID 159081450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).