N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide

C146H182N18O16 — CID 160964565

IUPACN-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
SMILESCCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccc2c(c1)OCO2.CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccc(OC)cc1.CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccc2c(c1)OCO2.CCCCn1c(CN(CC(C)C)C(=O)c2ccc(OC)cc2)nc2ccccc21.CCCCn1c(CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2ccccc21
InChIInChI=1S/2C25H31N3O3.2C24H29N3O3.2C24H31N3O2/c1-4-5-13-28-21-9-7-6-8-20(21)26-24(28)16-27(14-12-18(2)3)25(29)19-10-11-22-23(15-19)31-17-30-22;1-3-5-9-14-27(25(29)19-12-13-22-23(16-19)31-18-30-22)17-24-26-20-10-7-8-11-21(20)28(24)15-6-4-2;1-4-5-12-27-20-9-7-6-8-19(20)25-23(27)15-26(14-17(2)3)24(28)18-10-11-21-22(13-18)30-16-29-21;1-3-5-13-26(24(28)18-11-12-21-22(15-18)30-17-29-21)16-23-25-19-9-7-8-10-20(19)27(23)14-6-4-2;1-5-6-15-27-22-10-8-7-9-21(22)25-23(27)17-26(16-18(2)3)24(28)19-11-13-20(29-4)14-12-19;1-4-6-16-26(24(28)19-12-14-20(29-3)15-13-19)18-23-25-21-10-8-9-11-22(21)27(23)17-7-5-2/h6-11,15,18H,4-5,12-14,16-17H2,1-3H3;7-8,10-13,16H,3-6,9,14-15,17-18H2,1-2H3;6-11,13,17H,4-5,12,14-16H2,1-3H3;7-12,15H,3-6,13-14,16-17H2,1-2H3;7-14,18H,5-6,15-17H2,1-4H3;8-15H,4-7,16-18H2,1-3H3
InChIKeySXLFUALBDOUVIE-UHFFFAOYSA-N
MW2445.17 g/mol
LogP30.95
Rot. Bonds55

About N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide

N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide (PubChem CID 160964565) has the molecular formula C146H182N18O16 and a molecular weight of 2445.17 g/mol. Its IUPAC name is N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
PubChem CID160964565
Molecular FormulaC146H182N18O16
Molecular Weight2445.17 g/mol
Exact Mass2443.40
IUPAC NameN-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
SMILESCCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccc2c(c1)OCO2.CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccc(OC)cc1.CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccc2c(c1)OCO2.CCCCn1c(CN(CC(C)C)C(=O)c2ccc(OC)cc2)nc2ccccc21.CCCCn1c(CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2ccccc21
InChIInChI=1S/2C25H31N3O3.2C24H29N3O3.2C24H31N3O2/c1-4-5-13-28-21-9-7-6-8-20(21)26-24(28)16-27(14-12-18(2)3)25(29)19-10-11-22-23(15-19)31-17-30-22;1-3-5-9-14-27(25(29)19-12-13-22-23(16-19)31-18-30-22)17-24-26-20-10-7-8-11-21(20)28(24)15-6-4-2;1-4-5-12-27-20-9-7-6-8-19(20)25-23(27)15-26(14-17(2)3)24(28)18-10-11-21-22(13-18)30-16-29-21;1-3-5-13-26(24(28)18-11-12-21-22(15-18)30-17-29-21)16-23-25-19-9-7-8-10-20(19)27(23)14-6-4-2;1-5-6-15-27-22-10-8-7-9-21(22)25-23(27)17-26(16-18(2)3)24(28)19-11-13-20(29-4)14-12-19;1-4-6-16-26(24(28)19-12-14-20(29-3)15-13-19)18-23-25-21-10-8-9-11-22(21)27(23)17-7-5-2/h6-11,15,18H,4-5,12-14,16-17H2,1-3H3;7-8,10-13,16H,3-6,9,14-15,17-18H2,1-2H3;6-11,13,17H,4-5,12,14-16H2,1-3H3;7-12,15H,3-6,13-14,16-17H2,1-2H3;7-14,18H,5-6,15-17H2,1-4H3;8-15H,4-7,16-18H2,1-3H3
InChIKeySXLFUALBDOUVIE-UHFFFAOYSA-N
XLogP30.95
TPSA321.08 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds55
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002445.17
LogP ≤ 530.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide 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
1,3-Benzodioxol-5-yl(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 36565562
3,4-Dimethoxyphenyl imidazolidino[1,2-a]benzimidazolyl ketone
CID 1086695
3,4-dimethoxy-N-{[1-(2-methylpropyl)-1H-benzimidazol-2-yl]methyl}benzamide
CID 4753706
(3,4-dimethoxyphenyl)-[(3S)-3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137904
1-(2H-1,3-Benzodioxole-5-carbonyl)-3-{2-propyl-3H-imidazo[4,5-B]pyridin-3-YL}pyrrolidine
CID 53186773
1,3-Benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 53186799
1-(2H-1,3-Benzodioxole-5-carbonyl)-3-[2-(4-methoxyphenyl)-3H-imidazo[4,5-B]pyridin-3-YL]pyrrolidine
CID 87050821
1-(2H-1,3-Benzodioxole-5-carbonyl)-3-{3-methyl-3H-imidazo[4,5-B]pyridin-2-YL}pyrrolidine
CID 87054207
1,3-benzodioxol-5-yl[3-(3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl)-1-pyrrolidinyl]methanone
CID 87054241
1-(2H-1,3-Benzodioxole-5-carbonyl)-3-{3-propyl-3H-imidazo[4,5-B]pyridin-2-YL}pyrrolidine
CID 87054268
1-[1-(2H-1,3-Benzodioxole-5-carbonyl)piperidin-4-YL]-6-fluoro-2-phenyl-1H-1,3-benzodiazole
CID 46090264

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide (CID 160964565) is N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide is CCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccc2c(c1)OCO2.CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccc(OC)cc1.CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccc2c(c1)OCO2.CCCCn1c(CN(CC(C)C)C(=O)c2ccc(OC)cc2)nc2ccccc21.CCCCn1c(CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2ccccc21.
What is the InChIKey of N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide?
The InChIKey is SXLFUALBDOUVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H31N3O3.2C24H29N3O3.2C24H31N3O2/c1-4-5-13-28-21-9-7-6-8-20(21)26-24(28)16-27(14-12-18(2)3)25(29)19-10-11-22-23(15-19)31-17-30-22;1-3-5-9-14-27(25(29)19-12-13-22-23(16-19)31-18-30-22)17-24-26-20-10-7-8-11-21(20)28(24)15-6-4-2;1-4-5-12-27-20-9-7-6-8-19(20)25-23(27)15-26(14-17(2)3)24(28)18-10-11-21-22(13-18)30-16-29-21;1-3-5-13-26(24(28)18-11-12-21-22(15-18)30-17-29-21)16-23-25-19-9-7-8-10-20(19)27(23)14-6-4-2;1-5-6-15-27-22-10-8-7-9-21(22)25-23(27)17-26(16-18(2)3)24(28)19-11-13-20(29-4)14-12-19;1-4-6-16-26(24(28)19-12-14-20(29-3)15-13-19)18-23-25-21-10-8-9-11-22(21)27(23)17-7-5-2/h6-11,15,18H,4-5,12-14,16-17H2,1-3H3;7-8,10-13,16H,3-6,9,14-15,17-18H2,1-2H3;6-11,13,17H,4-5,12,14-16H2,1-3H3;7-12,15H,3-6,13-14,16-17H2,1-2H3;7-14,18H,5-6,15-17H2,1-4H3;8-15H,4-7,16-18H2,1-3H3.
What are the key properties of N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide?
N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide has a molecular weight of 2445.17 g/mol, XLogP of 30.95, 55 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentyl-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 160964565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).