N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide

C170H213N21O11 — CID 159153145

IUPACN-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
SMILESCC(C)CCN(Cc1nc2ccccc2n1C1CCCCC1)C(=O)c1ccc2c(c1)OCO2.CC(C)CN(Cc1nc2ccccc2n1C1CCCCC1)C(=O)c1ccc2c(c1)OCO2.CCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccccc1.CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccccc1.CCCCn1c(CN(CC(C)C)C(=O)c2ccccc2)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2ccccc2)nc2ccccc21.CCCCn1c(CN(CCC)C(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C27H33N3O3.C26H31N3O3.2C24H31N3O.3C23H29N3O/c1-19(2)14-15-29(27(31)20-12-13-24-25(16-20)33-18-32-24)17-26-28-22-10-6-7-11-23(22)30(26)21-8-4-3-5-9-21;1-18(2)15-28(26(30)19-12-13-23-24(14-19)32-17-31-23)16-25-27-21-10-6-7-11-22(21)29(25)20-8-4-3-5-9-20;1-4-5-16-27-22-14-10-9-13-21(22)25-23(27)18-26(17-15-19(2)3)24(28)20-11-7-6-8-12-20;1-3-5-12-17-26(24(28)20-13-8-7-9-14-20)19-23-25-21-15-10-11-16-22(21)27(23)18-6-4-2;1-4-5-15-26-21-14-10-9-13-20(21)24-22(26)17-25(16-18(2)3)23(27)19-11-7-6-8-12-19;1-4-6-15-26-21-13-8-7-12-20(21)24-22(26)17-25(14-5-2)23(27)19-11-9-10-18(3)16-19;1-3-5-16-25(23(27)19-12-8-7-9-13-19)18-22-24-20-14-10-11-15-21(20)26(22)17-6-4-2/h6-7,10-13,16,19,21H,3-5,8-9,14-15,17-18H2,1-2H3;6-7,10-14,18,20H,3-5,8-9,15-17H2,1-2H3;6-14,19H,4-5,15-18H2,1-3H3;7-11,13-16H,3-6,12,17-19H2,1-2H3;6-14,18H,4-5,15-17H2,1-3H3;7-13,16H,4-6,14-15,17H2,1-3H3;7-15H,3-6,16-18H2,1-2H3
InChIKeyKJODBXDTVJHJRE-UHFFFAOYSA-N
MW2726.71 g/mol
LogP38.33
Rot. Bonds57

About N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide

N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 159153145) has the molecular formula C170H213N21O11 and a molecular weight of 2726.71 g/mol. Its IUPAC name is N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
PubChem CID159153145
Molecular FormulaC170H213N21O11
Molecular Weight2726.71 g/mol
Exact Mass2724.68
IUPAC NameN-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
SMILESCC(C)CCN(Cc1nc2ccccc2n1C1CCCCC1)C(=O)c1ccc2c(c1)OCO2.CC(C)CN(Cc1nc2ccccc2n1C1CCCCC1)C(=O)c1ccc2c(c1)OCO2.CCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccccc1.CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccccc1.CCCCn1c(CN(CC(C)C)C(=O)c2ccccc2)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2ccccc2)nc2ccccc21.CCCCn1c(CN(CCC)C(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C27H33N3O3.C26H31N3O3.2C24H31N3O.3C23H29N3O/c1-19(2)14-15-29(27(31)20-12-13-24-25(16-20)33-18-32-24)17-26-28-22-10-6-7-11-23(22)30(26)21-8-4-3-5-9-21;1-18(2)15-28(26(30)19-12-13-23-24(14-19)32-17-31-23)16-25-27-21-10-6-7-11-22(21)29(25)20-8-4-3-5-9-20;1-4-5-16-27-22-14-10-9-13-21(22)25-23(27)18-26(17-15-19(2)3)24(28)20-11-7-6-8-12-20;1-3-5-12-17-26(24(28)20-13-8-7-9-14-20)19-23-25-21-15-10-11-16-22(21)27(23)18-6-4-2;1-4-5-15-26-21-14-10-9-13-20(21)24-22(26)17-25(16-18(2)3)23(27)19-11-7-6-8-12-19;1-4-6-15-26-21-13-8-7-12-20(21)24-22(26)17-25(14-5-2)23(27)19-11-9-10-18(3)16-19;1-3-5-16-25(23(27)19-12-8-7-9-13-19)18-22-24-20-14-10-11-15-21(20)26(22)17-6-4-2/h6-7,10-13,16,19,21H,3-5,8-9,14-15,17-18H2,1-2H3;6-7,10-14,18,20H,3-5,8-9,15-17H2,1-2H3;6-14,19H,4-5,15-18H2,1-3H3;7-11,13-16H,3-6,12,17-19H2,1-2H3;6-14,18H,4-5,15-17H2,1-3H3;7-13,16H,4-6,14-15,17H2,1-3H3;7-15H,3-6,16-18H2,1-2H3
InChIKeyKJODBXDTVJHJRE-UHFFFAOYSA-N
XLogP38.33
TPSA303.83 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds57
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002726.71
LogP ≤ 538.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide with MolForge

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Launch Full Analysis

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)-[(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
N-{4-[2-(1-Ethyl-1H-1,3-benzodiazol-2-YL)ethyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
CID 50765580
1,3-Benzodioxol-5-yl-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 132454538

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide (CID 159153145) is N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide is CC(C)CCN(Cc1nc2ccccc2n1C1CCCCC1)C(=O)c1ccc2c(c1)OCO2.CC(C)CN(Cc1nc2ccccc2n1C1CCCCC1)C(=O)c1ccc2c(c1)OCO2.CCCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccccc1.CCCCN(Cc1nc2ccccc2n1CCCC)C(=O)c1ccccc1.CCCCn1c(CN(CC(C)C)C(=O)c2ccccc2)nc2ccccc21.CCCCn1c(CN(CCC(C)C)C(=O)c2ccccc2)nc2ccccc21.CCCCn1c(CN(CCC)C(=O)c2cccc(C)c2)nc2ccccc21.
What is the InChIKey of N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is KJODBXDTVJHJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3.C26H31N3O3.2C24H31N3O.3C23H29N3O/c1-19(2)14-15-29(27(31)20-12-13-24-25(16-20)33-18-32-24)17-26-28-22-10-6-7-11-23(22)30(26)21-8-4-3-5-9-21;1-18(2)15-28(26(30)19-12-13-23-24(14-19)32-17-31-23)16-25-27-21-10-6-7-11-22(21)29(25)20-8-4-3-5-9-20;1-4-5-16-27-22-14-10-9-13-21(22)25-23(27)18-26(17-15-19(2)3)24(28)20-11-7-6-8-12-20;1-3-5-12-17-26(24(28)20-13-8-7-9-14-20)19-23-25-21-15-10-11-16-22(21)27(23)18-6-4-2;1-4-5-15-26-21-14-10-9-13-20(21)24-22(26)17-25(16-18(2)3)23(27)19-11-7-6-8-12-19;1-4-6-15-26-21-13-8-7-12-20(21)24-22(26)17-25(14-5-2)23(27)19-11-9-10-18(3)16-19;1-3-5-16-25(23(27)19-12-8-7-9-13-19)18-22-24-20-14-10-11-15-21(20)26(22)17-6-4-2/h6-7,10-13,16,19,21H,3-5,8-9,14-15,17-18H2,1-2H3;6-7,10-14,18,20H,3-5,8-9,15-17H2,1-2H3;6-14,19H,4-5,15-18H2,1-3H3;7-11,13-16H,3-6,12,17-19H2,1-2H3;6-14,18H,4-5,15-17H2,1-3H3;7-13,16H,4-6,14-15,17H2,1-3H3;7-15H,3-6,16-18H2,1-2H3.
What are the key properties of N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 2726.71 g/mol, XLogP of 38.33, 57 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 159153145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).