1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole

C131H134ClN19O7S3 — CID 159940994

IUPAC1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole
SMILESCCCCc1nc2ccccc2n1CC(=O)N1CCCC1c1nc2ccccc2s1.COc1ccccc1Cn1c(C)nc2ccccc21.COc1ccccc1NC(=O)Cn1c(C)nc2ccccc21.Cc1ccc(Cn2c(C(C)(C)C)nc3ccccc32)cc1.Cc1ccccc1OCCn1c(C)nc2ccccc21.Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1.Cc1nc2ccccc2n1CCNC(=O)c1ccccc1SCc1ccsc1
InChIInChI=1S/C24H26N4OS.C22H21N3OS2.C19H22N2.C17H17N3O2.C17H18N2O.C16H14ClN3O.C16H16N2O/c1-2-3-14-22-25-17-9-4-6-11-19(17)28(22)16-23(29)27-15-8-12-20(27)24-26-18-10-5-7-13-21(18)30-24;1-16-24-19-7-3-4-8-20(19)25(16)12-11-23-22(26)18-6-2-5-9-21(18)28-15-17-10-13-27-14-17;1-14-9-11-15(12-10-14)13-21-17-8-6-5-7-16(17)20-18(21)19(2,3)4;1-12-18-13-7-3-5-9-15(13)20(12)11-17(21)19-14-8-4-6-10-16(14)22-2;1-13-7-3-6-10-17(13)20-12-11-19-14(2)18-15-8-4-5-9-16(15)19;1-11-18-14-4-2-3-5-15(14)20(11)10-16(21)19-13-8-6-12(17)7-9-13;1-12-17-14-8-4-5-9-15(14)18(12)11-13-7-3-6-10-16(13)19-2/h4-7,9-11,13,20H,2-3,8,12,14-16H2,1H3;2-10,13-14H,11-12,15H2,1H3,(H,23,26);5-12H,13H2,1-4H3;3-10H,11H2,1-2H3,(H,19,21);3-10H,11-12H2,1-2H3;2-9H,10H2,1H3,(H,19,21);3-10H,11H2,1-2H3
InChIKeyOAWLMUIACGTIFM-UHFFFAOYSA-N
MW2218.29 g/mol
LogP28.93
Rot. Bonds29

About 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole

1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole (PubChem CID 159940994) has the molecular formula C131H134ClN19O7S3 and a molecular weight of 2218.29 g/mol. Its IUPAC name is 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole
PubChem CID159940994
Molecular FormulaC131H134ClN19O7S3
Molecular Weight2218.29 g/mol
Exact Mass2215.96
IUPAC Name1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole
SMILESCCCCc1nc2ccccc2n1CC(=O)N1CCCC1c1nc2ccccc2s1.COc1ccccc1Cn1c(C)nc2ccccc21.COc1ccccc1NC(=O)Cn1c(C)nc2ccccc21.Cc1ccc(Cn2c(C(C)(C)C)nc3ccccc32)cc1.Cc1ccccc1OCCn1c(C)nc2ccccc21.Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1.Cc1nc2ccccc2n1CCNC(=O)c1ccccc1SCc1ccsc1
InChIInChI=1S/C24H26N4OS.C22H21N3OS2.C19H22N2.C17H17N3O2.C17H18N2O.C16H14ClN3O.C16H16N2O/c1-2-3-14-22-25-17-9-4-6-11-19(17)28(22)16-23(29)27-15-8-12-20(27)24-26-18-10-5-7-13-21(18)30-24;1-16-24-19-7-3-4-8-20(19)25(16)12-11-23-22(26)18-6-2-5-9-21(18)28-15-17-10-13-27-14-17;1-14-9-11-15(12-10-14)13-21-17-8-6-5-7-16(17)20-18(21)19(2,3)4;1-12-18-13-7-3-5-9-15(13)20(12)11-17(21)19-14-8-4-6-10-16(14)22-2;1-13-7-3-6-10-17(13)20-12-11-19-14(2)18-15-8-4-5-9-16(15)19;1-11-18-14-4-2-3-5-15(14)20(11)10-16(21)19-13-8-6-12(17)7-9-13;1-12-17-14-8-4-5-9-15(14)18(12)11-13-7-3-6-10-16(13)19-2/h4-7,9-11,13,20H,2-3,8,12,14-16H2,1H3;2-10,13-14H,11-12,15H2,1H3,(H,23,26);5-12H,13H2,1-4H3;3-10H,11H2,1-2H3,(H,19,21);3-10H,11-12H2,1-2H3;2-9H,10H2,1H3,(H,19,21);3-10H,11H2,1-2H3
InChIKeyOAWLMUIACGTIFM-UHFFFAOYSA-N
XLogP28.93
TPSA272.93 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002218.29
LogP ≤ 528.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole with MolForge

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Related Compounds

1,2-Dimethylbenzimidazole;1,2-dimethylindole;2-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole
CID 158151338
1-Benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2,2-dimethylpropane;furan;1-methylbenzimidazole;1-methylimidazole;1-methylindole;undecakis(2-methylpropane);1-methylpyrrole;1,3-oxazole;1,3-thiazole;thiophene
CID 158259571
1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,2-dimethyl-2,3-dihydroindole;2,3-dimethyl-1H-indole;ethane;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole
CID 158962976
N-(4-chlorophenyl)-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-3-methyl-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]butanamide;N-[4-(4-chlorophenyl)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide;4-chloro-N-[2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]ethyl]benzamide
CID 159371905
5,6-Dichloro-1,3-diethyl-2-methylbenzimidazol-3-ium;2,3-dimethyl-1,3-benzoxazol-3-ium;3-ethyl-2-methyl-1,3-benzothiazol-3-ium;3-ethyl-2-methyl-1,3-benzoxazol-3-ium;2-methyl-3-propan-2-yl-1,3-benzothiazol-3-ium;2,3,3-trimethyl-1-propylindol-1-ium
CID 160043873
Methane;1-methyl-2-propan-2-ylbenzimidazole;2-propan-2-yl-1-benzofuran;bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-yl-1,3-benzoxazole)
CID 160265001
benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;ethane;1H-indole;1-methylbenzimidazole;1-methylindole
CID 160426067
1-Methyl-2-propan-2-ylbenzimidazole;bis(2-propan-2-yl-1-benzofuran);bis(2-propan-2-yl-1,3-benzothiazole);bis(2-propan-2-yl-1,3-benzoxazole)
CID 161487559
1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,2-dimethyl-2,3-dihydroindole;2,3-dimethyl-1H-indole;ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole
CID 161585120
1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 161991385

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
The IUPAC name of 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole (CID 159940994) is 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole is CCCCc1nc2ccccc2n1CC(=O)N1CCCC1c1nc2ccccc2s1.COc1ccccc1Cn1c(C)nc2ccccc21.COc1ccccc1NC(=O)Cn1c(C)nc2ccccc21.Cc1ccc(Cn2c(C(C)(C)C)nc3ccccc32)cc1.Cc1ccccc1OCCn1c(C)nc2ccccc21.Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1.Cc1nc2ccccc2n1CCNC(=O)c1ccccc1SCc1ccsc1.
What is the InChIKey of 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
The InChIKey is OAWLMUIACGTIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS.C22H21N3OS2.C19H22N2.C17H17N3O2.C17H18N2O.C16H14ClN3O.C16H16N2O/c1-2-3-14-22-25-17-9-4-6-11-19(17)28(22)16-23(29)27-15-8-12-20(27)24-26-18-10-5-7-13-21(18)30-24;1-16-24-19-7-3-4-8-20(19)25(16)12-11-23-22(26)18-6-2-5-9-21(18)28-15-17-10-13-27-14-17;1-14-9-11-15(12-10-14)13-21-17-8-6-5-7-16(17)20-18(21)19(2,3)4;1-12-18-13-7-3-5-9-15(13)20(12)11-17(21)19-14-8-4-6-10-16(14)22-2;1-13-7-3-6-10-17(13)20-12-11-19-14(2)18-15-8-4-5-9-16(15)19;1-11-18-14-4-2-3-5-15(14)20(11)10-16(21)19-13-8-6-12(17)7-9-13;1-12-17-14-8-4-5-9-15(14)18(12)11-13-7-3-6-10-16(13)19-2/h4-7,9-11,13,20H,2-3,8,12,14-16H2,1H3;2-10,13-14H,11-12,15H2,1H3,(H,23,26);5-12H,13H2,1-4H3;3-10H,11H2,1-2H3,(H,19,21);3-10H,11-12H2,1-2H3;2-9H,10H2,1H3,(H,19,21);3-10H,11H2,1-2H3.
What are the key properties of 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole?
1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole has a molecular weight of 2218.29 g/mol, XLogP of 28.93, 29 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-butylbenzimidazol-1-yl)ethanone;2-tert-butyl-1-[(4-methylphenyl)methyl]benzimidazole;N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;N-(2-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide;1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole;N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide;2-methyl-1-[2-(2-methylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 159940994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).