3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide

C92H73N23O6S4 — CID 160887882

IUPAC3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCCc1nc2ccccc2n1-c1csc(C(N)=O)c1.Cc1nc2ccccc2n1-c1csc(C(N)=O)c1.N#Cc1cc(-n2cnc3ccccc32)cs1.NC(=NO)c1cc(-n2cnc3ccccc32)cs1.NC(=O)c1ccc(-n2cnc3ccccc32)cc1.NC(=O)c1cccc(-n2cnc3ccccc32)c1.NC(=O)c1cncc(-n2cnc3ccccc32)c1
InChIInChI=1S/C14H13N3OS.2C14H11N3O.C13H10N4O.C13H11N3OS.C12H10N4OS.C12H7N3S/c1-2-13-16-10-5-3-4-6-11(10)17(13)9-7-12(14(15)18)19-8-9;15-14(18)10-4-3-5-11(8-10)17-9-16-12-6-1-2-7-13(12)17;15-14(18)10-5-7-11(8-6-10)17-9-16-12-3-1-2-4-13(12)17;14-13(18)9-5-10(7-15-6-9)17-8-16-11-3-1-2-4-12(11)17;1-8-15-10-4-2-3-5-11(10)16(8)9-6-12(13(14)17)18-7-9;13-12(15-17)11-5-8(6-18-11)16-7-14-9-3-1-2-4-10(9)16;13-6-10-5-9(7-16-10)15-8-14-11-3-1-2-4-12(11)15/h3-8H,2H2,1H3,(H2,15,18);2*1-9H,(H2,15,18);1-8H,(H2,14,18);2-7H,1H3,(H2,14,17);1-7,17H,(H2,13,15);1-5,7-8H
InChIKeySNWLOXSBCXOMHQ-UHFFFAOYSA-N
MW1725.02 g/mol
LogP16.15
Rot. Bonds14

About 3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide

3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 160887882) has the molecular formula C92H73N23O6S4 and a molecular weight of 1725.02 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID160887882
Molecular FormulaC92H73N23O6S4
Molecular Weight1725.02 g/mol
Exact Mass1723.50
IUPAC Name3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCCc1nc2ccccc2n1-c1csc(C(N)=O)c1.Cc1nc2ccccc2n1-c1csc(C(N)=O)c1.N#Cc1cc(-n2cnc3ccccc32)cs1.NC(=NO)c1cc(-n2cnc3ccccc32)cs1.NC(=O)c1ccc(-n2cnc3ccccc32)cc1.NC(=O)c1cccc(-n2cnc3ccccc32)c1.NC(=O)c1cncc(-n2cnc3ccccc32)c1
InChIInChI=1S/C14H13N3OS.2C14H11N3O.C13H10N4O.C13H11N3OS.C12H10N4OS.C12H7N3S/c1-2-13-16-10-5-3-4-6-11(10)17(13)9-7-12(14(15)18)19-8-9;15-14(18)10-4-3-5-11(8-10)17-9-16-12-6-1-2-7-13(12)17;15-14(18)10-5-7-11(8-6-10)17-9-16-12-3-1-2-4-13(12)17;14-13(18)9-5-10(7-15-6-9)17-8-16-11-3-1-2-4-12(11)17;1-8-15-10-4-2-3-5-11(10)16(8)9-6-12(13(14)17)18-7-9;13-12(15-17)11-5-8(6-18-11)16-7-14-9-3-1-2-4-10(9)16;13-6-10-5-9(7-16-10)15-8-14-11-3-1-2-4-12(11)15/h3-8H,2H2,1H3,(H2,15,18);2*1-9H,(H2,15,18);1-8H,(H2,14,18);2-7H,1H3,(H2,14,17);1-7,17H,(H2,13,15);1-5,7-8H
InChIKeySNWLOXSBCXOMHQ-UHFFFAOYSA-N
XLogP16.15
TPSA435.48 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001725.02
LogP ≤ 516.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide with MolForge

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Related Compounds

bis(2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile);2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile;1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone
CID 167547078
bis(2-[1-[(1S,3R)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile);bis(2-[1-[(1S,3R)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-5-propanoylbenzimidazol-2-yl]benzonitrile);1-(5-methylthiophen-2-yl)-2-[(1S,3R)-3-[2-pyridin-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]ethanone
CID 167689747
1-cyclohexyl-2-(2-fluoro-3-pyridinyl)-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-5-carboxamide;1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide
CID 123620081
1-cyclohexyl-3-methyl-N-[1-[1-methyl-6-[(E)-2-methyl-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-thiophen-3-ylindole-5-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-5-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-pyrazin-2-ylindole-6-carboxamide
CID 123833482
5-(cyclopentanecarbonylamino)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-6-methylpyridine-3-carboxamide;N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(propanoylamino)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 157210752
4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;4-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide;4-(benzimidazol-1-yl)-1,3-thiazole-2-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carboximidamide;butane;bis(4-imidazo[4,5-c]pyridin-1-ylthiophene-2-carboxamide);tetrakis(pentane);4-(2-pentylbenzimidazol-1-yl)thiophene-2-carbonitrile;[4-(2-pentylbenzimidazol-1-yl)thiophen-2-yl]methanamine
CID 157409806
(E)-3-[2-cyclohexyl-1-(3-hydroxypropyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide;(E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-(2-methylpropyl)benzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-octylbenzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[1-(3-hydroxypropyl)-2-thiophen-3-ylbenzimidazol-5-yl]prop-2-enamide;(E)-N-hydroxy-3-[2-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)benzimidazol-5-yl]prop-2-enamide
CID 157992832
N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-6-phenylpyridine-3-carboxamide;5-(1-fluoroethyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)-5-(pyrrolidin-1-ylmethyl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(1-methylpyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 158346379
1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium
CID 158661341
1-(3-amino-3-oxopropyl)-2-[1-(3-cyanophenyl)ethenylamino]-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide;1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-[1-(3-fluorophenyl)ethenylamino]-N-methylbenzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[4-(methylamino)-4-oxobutyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
CID 158679438
1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
CID 159342887
Hexakis(4-(benzimidazol-1-yl)thiophene-2-carboxamide);butane;hexane;4-(2-nonylbenzimidazol-1-yl)thiophene-2-carboxamide;octane;pentane;propane;undecane
CID 159408401

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide (CID 160887882) is 3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide is CCc1nc2ccccc2n1-c1csc(C(N)=O)c1.Cc1nc2ccccc2n1-c1csc(C(N)=O)c1.N#Cc1cc(-n2cnc3ccccc32)cs1.NC(=NO)c1cc(-n2cnc3ccccc32)cs1.NC(=O)c1ccc(-n2cnc3ccccc32)cc1.NC(=O)c1cccc(-n2cnc3ccccc32)c1.NC(=O)c1cncc(-n2cnc3ccccc32)c1.
What is the InChIKey of 3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is SNWLOXSBCXOMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS.2C14H11N3O.C13H10N4O.C13H11N3OS.C12H10N4OS.C12H7N3S/c1-2-13-16-10-5-3-4-6-11(10)17(13)9-7-12(14(15)18)19-8-9;15-14(18)10-4-3-5-11(8-10)17-9-16-12-6-1-2-7-13(12)17;15-14(18)10-5-7-11(8-6-10)17-9-16-12-3-1-2-4-13(12)17;14-13(18)9-5-10(7-15-6-9)17-8-16-11-3-1-2-4-12(11)17;1-8-15-10-4-2-3-5-11(10)16(8)9-6-12(13(14)17)18-7-9;13-12(15-17)11-5-8(6-18-11)16-7-14-9-3-1-2-4-10(9)16;13-6-10-5-9(7-16-10)15-8-14-11-3-1-2-4-12(11)15/h3-8H,2H2,1H3,(H2,15,18);2*1-9H,(H2,15,18);1-8H,(H2,14,18);2-7H,1H3,(H2,14,17);1-7,17H,(H2,13,15);1-5,7-8H.
What are the key properties of 3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide?
3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 1725.02 g/mol, XLogP of 16.15, 14 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)benzamide;4-(benzimidazol-1-yl)-N'-hydroxythiophene-2-carboximidamide;5-(benzimidazol-1-yl)pyridine-3-carboxamide;4-(benzimidazol-1-yl)thiophene-2-carbonitrile;4-(2-ethylbenzimidazol-1-yl)thiophene-2-carboxamide;4-(2-methylbenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 160887882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).