N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane

C87H71Cl3F8N12O13S4 — CID 161427423

IUPACN-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane
SMILESCC(=O)CC#N.CC(=O)c1c(-c2nc3ccccc3n2C(F)F)csc1N.CC(=O)c1c(-c2nc3ccccc3n2C(F)F)csc1NC(=O)c1cc2ccccc2o1.CC(=O)c1nc2ccccc2n1C(F)F.CC(C)(C)O.ClCCl.O=C(Cl)c1cc2ccccc2o1.O=C(Nc1scc(-c2nc3ccccc3n2C(F)F)c1C(=O)O)c1cc2ccccc2o1.S
InChIInChI=1S/C23H15F2N3O3S.C22H13F2N3O4S.C14H11F2N3OS.C10H8F2N2O.C9H5ClO2.C4H5NO.C4H10O.CH2Cl2.H2S/c1-12(29)19-14(20-26-15-7-3-4-8-16(15)28(20)23(24)25)11-32-22(19)27-21(30)18-10-13-6-2-5-9-17(13)31-18;23-22(24)27-14-7-3-2-6-13(14)25-18(27)12-10-32-20(17(12)21(29)30)26-19(28)16-9-11-5-1-4-8-15(11)31-16;1-7(20)11-8(6-21-12(11)17)13-18-9-4-2-3-5-10(9)19(13)14(15)16;1-6(15)9-13-7-4-2-3-5-8(7)14(9)10(11)12;10-9(11)8-5-6-3-1-2-4-7(6)12-8;1-4(6)2-3-5;1-4(2,3)5;2-1-3;/h2-11,23H,1H3,(H,27,30);1-10,22H,(H,26,28)(H,29,30);2-6,14H,17H2,1H3;2-5,10H,1H3;1-5H;2H2,1H3;5H,1-3H3;1H2;1H2
InChIKeyVXNYWXBKYCQWSB-UHFFFAOYSA-N
MW1879.21 g/mol
LogP24.41
Rot. Bonds17

About N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane

N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane (PubChem CID 161427423) has the molecular formula C87H71Cl3F8N12O13S4 and a molecular weight of 1879.21 g/mol. Its IUPAC name is N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane.

Molecular Properties

Compound NameN-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane
PubChem CID161427423
Molecular FormulaC87H71Cl3F8N12O13S4
Molecular Weight1879.21 g/mol
Exact Mass1876.31
IUPAC NameN-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane
SMILESCC(=O)CC#N.CC(=O)c1c(-c2nc3ccccc3n2C(F)F)csc1N.CC(=O)c1c(-c2nc3ccccc3n2C(F)F)csc1NC(=O)c1cc2ccccc2o1.CC(=O)c1nc2ccccc2n1C(F)F.CC(C)(C)O.ClCCl.O=C(Cl)c1cc2ccccc2o1.O=C(Nc1scc(-c2nc3ccccc3n2C(F)F)c1C(=O)O)c1cc2ccccc2o1.S
InChIInChI=1S/C23H15F2N3O3S.C22H13F2N3O4S.C14H11F2N3OS.C10H8F2N2O.C9H5ClO2.C4H5NO.C4H10O.CH2Cl2.H2S/c1-12(29)19-14(20-26-15-7-3-4-8-16(15)28(20)23(24)25)11-32-22(19)27-21(30)18-10-13-6-2-5-9-17(13)31-18;23-22(24)27-14-7-3-2-6-13(14)25-18(27)12-10-32-20(17(12)21(29)30)26-19(28)16-9-11-5-1-4-8-15(11)31-16;1-7(20)11-8(6-21-12(11)17)13-18-9-4-2-3-5-10(9)19(13)14(15)16;1-6(15)9-13-7-4-2-3-5-8(7)14(9)10(11)12;10-9(11)8-5-6-3-1-2-4-7(6)12-8;1-4(6)2-3-5;1-4(2,3)5;2-1-3;/h2-11,23H,1H3,(H,27,30);1-10,22H,(H,26,28)(H,29,30);2-6,14H,17H2,1H3;2-5,10H,1H3;1-5H;2H2,1H3;5H,1-3H3;1H2;1H2
InChIKeyVXNYWXBKYCQWSB-UHFFFAOYSA-N
XLogP24.41
TPSA361.59 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001879.21
LogP ≤ 524.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane with MolForge

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Related Compounds

2-(benzofuran-2-carboxamido)-4-(1-(difluoromethyl)-1H-benzo[d]imidazol-2-yl)thiophene-3-carboxylic acid
CID 46186149
tert-butyl 2-(benzofuran-2-carboxamido)-4-(1-(difluoromethyl)-1H-benzo[d]imidazol-2-yl)thiophene-3-carboxylate
CID 67308249
1-Benzofuran-2-carbonyl chloride;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;tert-butyl 2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylate;tert-butyl 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylate;tert-butyl 2-cyanoacetate;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;sulfane;2,2,2-trifluoroacetaldehyde
CID 161699606
N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;dichloromethane
CID 90804101
1-Benzofuran-2-carbonyl chloride;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;tert-butyl 2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylate;tert-butyl 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylate;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane
CID 159949309
1-Benzofuran-2-carbonyl chloride;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;tert-butyl 2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylate;tert-butyl 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylate;tert-butyl 2-cyanoacetate;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;sulfane
CID 161827944

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane?
The IUPAC name of N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane (CID 161427423) is N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane.
What is the SMILES notation for N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane?
The canonical SMILES for N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane is CC(=O)CC#N.CC(=O)c1c(-c2nc3ccccc3n2C(F)F)csc1N.CC(=O)c1c(-c2nc3ccccc3n2C(F)F)csc1NC(=O)c1cc2ccccc2o1.CC(=O)c1nc2ccccc2n1C(F)F.CC(C)(C)O.ClCCl.O=C(Cl)c1cc2ccccc2o1.O=C(Nc1scc(-c2nc3ccccc3n2C(F)F)c1C(=O)O)c1cc2ccccc2o1.S.
What is the InChIKey of N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane?
The InChIKey is VXNYWXBKYCQWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3O3S.C22H13F2N3O4S.C14H11F2N3OS.C10H8F2N2O.C9H5ClO2.C4H5NO.C4H10O.CH2Cl2.H2S/c1-12(29)19-14(20-26-15-7-3-4-8-16(15)28(20)23(24)25)11-32-22(19)27-21(30)18-10-13-6-2-5-9-17(13)31-18;23-22(24)27-14-7-3-2-6-13(14)25-18(27)12-10-32-20(17(12)21(29)30)26-19(28)16-9-11-5-1-4-8-15(11)31-16;1-7(20)11-8(6-21-12(11)17)13-18-9-4-2-3-5-10(9)19(13)14(15)16;1-6(15)9-13-7-4-2-3-5-8(7)14(9)10(11)12;10-9(11)8-5-6-3-1-2-4-7(6)12-8;1-4(6)2-3-5;1-4(2,3)5;2-1-3;/h2-11,23H,1H3,(H,27,30);1-10,22H,(H,26,28)(H,29,30);2-6,14H,17H2,1H3;2-5,10H,1H3;1-5H;2H2,1H3;5H,1-3H3;1H2;1H2.
What are the key properties of N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane?
N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane has a molecular weight of 1879.21 g/mol, XLogP of 24.41, 17 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-2-yl]-1-benzofuran-2-carboxamide;1-[2-amino-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophen-3-yl]ethanone;2-(1-benzofuran-2-carbonylamino)-4-[1-(difluoromethyl)benzimidazol-2-yl]thiophene-3-carboxylic acid;1-benzofuran-2-carbonyl chloride;dichloromethane;1-[1-(difluoromethyl)benzimidazol-2-yl]ethanone;2-methylpropan-2-ol;3-oxobutanenitrile;sulfane is sourced from PubChem (CID 161427423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).