4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide

C148H169Cl3N18O11 — CID 158873809

IUPAC4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESC=CCn1c(CN(C(=O)c2ccc(CCCC)cc2)C2CCCC2)nc2ccccc21.C=CCn1c(CN(C(=O)c2ccc(OC)c(Cl)c2)C2CCCC2)nc2ccccc21.C=CCn1c(CN(C(=O)c2ccc(OC)cc2)C2CCCC2)nc2ccccc21.C=CCn1c(CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2ccccc21.C=CCn1c(CN(CCC(C)C)C(=O)c2ccc(OC)c(C)c2)nc2ccccc21.O=C(c1ccc(Cl)cc1)N(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C1CCCC1
InChIInChI=1S/C27H33N3O.C25H27Cl2N3O.C25H31N3O2.C24H26ClN3O2.C24H27N3O2.C23H25N3O3/c1-3-5-10-21-15-17-22(18-16-21)27(31)30(23-11-6-7-12-23)20-26-28-24-13-8-9-14-25(24)29(26)19-4-2;26-18-11-9-17(10-12-18)25(31)29(20-5-1-2-6-20)16-24-28-22-14-13-19(27)15-23(22)30(24)21-7-3-4-8-21;1-6-14-28-22-10-8-7-9-21(22)26-24(28)17-27(15-13-18(2)3)25(29)20-11-12-23(30-5)19(4)16-20;1-3-14-27-21-11-7-6-10-20(21)26-23(27)16-28(18-8-4-5-9-18)24(29)17-12-13-22(30-2)19(25)15-17;1-3-16-26-22-11-7-6-10-21(22)25-23(26)17-27(19-8-4-5-9-19)24(28)18-12-14-20(29-2)15-13-18;1-4-11-26-19-8-6-5-7-18(19)24-22(26)14-25(13-16(2)3)23(27)17-9-10-20-21(12-17)29-15-28-20/h4,8-9,13-18,23H,2-3,5-7,10-12,19-20H2,1H3;9-15,20-21H,1-8,16H2;6-12,16,18H,1,13-15,17H2,2-5H3;3,6-7,10-13,15,18H,1,4-5,8-9,14,16H2,2H3;3,6-7,10-15,19H,1,4-5,8-9,16-17H2,2H3;4-10,12,16H,1,11,13-15H2,2-3H3
InChIKeyJCEHAQSUMWNISF-UHFFFAOYSA-N
MW2482.45 g/mol
LogP32.96
Rot. Bonds44

About 4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide

4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 158873809) has the molecular formula C148H169Cl3N18O11 and a molecular weight of 2482.45 g/mol. Its IUPAC name is 4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID158873809
Molecular FormulaC148H169Cl3N18O11
Molecular Weight2482.45 g/mol
Exact Mass2479.23
IUPAC Name4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESC=CCn1c(CN(C(=O)c2ccc(CCCC)cc2)C2CCCC2)nc2ccccc21.C=CCn1c(CN(C(=O)c2ccc(OC)c(Cl)c2)C2CCCC2)nc2ccccc21.C=CCn1c(CN(C(=O)c2ccc(OC)cc2)C2CCCC2)nc2ccccc21.C=CCn1c(CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2ccccc21.C=CCn1c(CN(CCC(C)C)C(=O)c2ccc(OC)c(C)c2)nc2ccccc21.O=C(c1ccc(Cl)cc1)N(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C1CCCC1
InChIInChI=1S/C27H33N3O.C25H27Cl2N3O.C25H31N3O2.C24H26ClN3O2.C24H27N3O2.C23H25N3O3/c1-3-5-10-21-15-17-22(18-16-21)27(31)30(23-11-6-7-12-23)20-26-28-24-13-8-9-14-25(24)29(26)19-4-2;26-18-11-9-17(10-12-18)25(31)29(20-5-1-2-6-20)16-24-28-22-14-13-19(27)15-23(22)30(24)21-7-3-4-8-21;1-6-14-28-22-10-8-7-9-21(22)26-24(28)17-27(15-13-18(2)3)25(29)20-11-12-23(30-5)19(4)16-20;1-3-14-27-21-11-7-6-10-20(21)26-23(27)16-28(18-8-4-5-9-18)24(29)17-12-13-22(30-2)19(25)15-17;1-3-16-26-22-11-7-6-10-21(22)25-23(26)17-27(19-8-4-5-9-19)24(28)18-12-14-20(29-2)15-13-18;1-4-11-26-19-8-6-5-7-18(19)24-22(26)14-25(13-16(2)3)23(27)17-9-10-20-21(12-17)29-15-28-20/h4,8-9,13-18,23H,2-3,5-7,10-12,19-20H2,1H3;9-15,20-21H,1-8,16H2;6-12,16,18H,1,13-15,17H2,2-5H3;3,6-7,10-13,15,18H,1,4-5,8-9,14,16H2,2H3;3,6-7,10-15,19H,1,4-5,8-9,16-17H2,2H3;4-10,12,16H,1,11,13-15H2,2-3H3
InChIKeyJCEHAQSUMWNISF-UHFFFAOYSA-N
XLogP32.96
TPSA274.93 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds44
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002482.45
LogP ≤ 532.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

3-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-4-methoxybenzamide;3-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-2-(trifluoromethyl)benzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide;3,4-dichloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 157625963
3-chloro-4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3,4-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 157678564
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-pentylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-ethoxy-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-4-propylbenzamide
CID 157804739
N-butyl-3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-fluorobenzamide;N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-fluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-fluoro-N-pentylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide
CID 157859777
N-butyl-3-chloro-4-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-2,5-difluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-4-methoxy-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;2,4-difluoro-N-(2-methylpropyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;2,3-difluoro-N-pentyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;2,5-difluoro-N-pentyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;4-ethoxy-N-(2-methylpropyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 157935093
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-fluoro-4-methyl-N-propylbenzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-5-fluoro-2-methyl-N-propylbenzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methoxy-N-propylbenzamide;N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-3-fluoro-N-propylbenzamide;N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide;N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-4-methyl-N-propylbenzamide;N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 157953867
N-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide
CID 158009339
3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-chloro-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,4-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 158056817
3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-prop-2-enylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-hydroxy-2-methoxy-N-prop-2-enylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 158158921
N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-(2-methylpropyl)benzamide;N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 158811832
5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 158849552
3-chloro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide;3-chloro-N-[[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide;2,5-dichloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]benzamide;2,4-difluoro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-(2-methylpropyl)benzamide;N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-[[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 159037486

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 158873809) is 4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide is C=CCn1c(CN(C(=O)c2ccc(CCCC)cc2)C2CCCC2)nc2ccccc21.C=CCn1c(CN(C(=O)c2ccc(OC)c(Cl)c2)C2CCCC2)nc2ccccc21.C=CCn1c(CN(C(=O)c2ccc(OC)cc2)C2CCCC2)nc2ccccc21.C=CCn1c(CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2ccccc21.C=CCn1c(CN(CCC(C)C)C(=O)c2ccc(OC)c(C)c2)nc2ccccc21.O=C(c1ccc(Cl)cc1)N(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C1CCCC1.
What is the InChIKey of 4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is JCEHAQSUMWNISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O.C25H27Cl2N3O.C25H31N3O2.C24H26ClN3O2.C24H27N3O2.C23H25N3O3/c1-3-5-10-21-15-17-22(18-16-21)27(31)30(23-11-6-7-12-23)20-26-28-24-13-8-9-14-25(24)29(26)19-4-2;26-18-11-9-17(10-12-18)25(31)29(20-5-1-2-6-20)16-24-28-22-14-13-19(27)15-23(22)30(24)21-7-3-4-8-21;1-6-14-28-22-10-8-7-9-21(22)26-24(28)17-27(15-13-18(2)3)25(29)20-11-12-23(30-5)19(4)16-20;1-3-14-27-21-11-7-6-10-20(21)26-23(27)16-28(18-8-4-5-9-18)24(29)17-12-13-22(30-2)19(25)15-17;1-3-16-26-22-11-7-6-10-21(22)25-23(26)17-27(19-8-4-5-9-19)24(28)18-12-14-20(29-2)15-13-18;1-4-11-26-19-8-6-5-7-18(19)24-22(26)14-25(13-16(2)3)23(27)17-9-10-20-21(12-17)29-15-28-20/h4,8-9,13-18,23H,2-3,5-7,10-12,19-20H2,1H3;9-15,20-21H,1-8,16H2;6-12,16,18H,1,13-15,17H2,2-5H3;3,6-7,10-13,15,18H,1,4-5,8-9,14,16H2,2H3;3,6-7,10-15,19H,1,4-5,8-9,16-17H2,2H3;4-10,12,16H,1,11,13-15H2,2-3H3.
What are the key properties of 4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?
4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 2482.45 g/mol, XLogP of 32.96, 44 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-cyclopentyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentylbenzamide;3-chloro-N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;4-methoxy-3-methyl-N-(3-methylbutyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide;N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 158873809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).