2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

C21H18N4O2S — CID 58278882

IUPAC2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)Cc2cc(-c3nc4c(C(=O)Nc5nccs5)cccc4[nH]3)ccc2O1
InChIInChI=1S/C21H18N4O2S/c1-21(2)11-13-10-12(6-7-16(13)27-21)18-23-15-5-3-4-14(17(15)24-18)19(26)25-20-22-8-9-28-20/h3-10H,11H2,1-2H3,(H,23,24)(H,22,25,26)
InChIKeyYZLKFCACVSARIJ-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.65
Rot. Bonds3

About 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide

2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 58278882) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID58278882
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(C)Cc2cc(-c3nc4c(C(=O)Nc5nccs5)cccc4[nH]3)ccc2O1
InChIInChI=1S/C21H18N4O2S/c1-21(2)11-13-10-12(6-7-16(13)27-21)18-23-15-5-3-4-14(17(15)24-18)19(26)25-20-22-8-9-28-20/h3-10H,11H2,1-2H3,(H,23,24)(H,22,25,26)
InChIKeyYZLKFCACVSARIJ-UHFFFAOYSA-N
XLogP4.65
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 88946420
CID 88946473
CID 88946473
2-[4-chloro-2-(difluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58279051
2-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278970
2-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58279405
2-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278728
2-(4-methylsulfonylphenyl)-1-[5-[[2-(3-methylsulfonylphenyl)-1H-benzimidazole-4-carbonyl]amino]-2-pyridinyl]-N-(1,3-thiazol-2-yl)benzimidazole-4-carboxamide
CID 143922281
2-[4-(2,3-dihydroxypropoxy)-2-methylphenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 76739455
N-(1,3-thiazol-2-yl)phenazine-1-carboxamide
CID 3713587
2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278843
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (CID 58278882) is 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is CC1(C)Cc2cc(-c3nc4c(C(=O)Nc5nccs5)cccc4[nH]3)ccc2O1.
What is the InChIKey of 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is YZLKFCACVSARIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-21(2)11-13-10-12(6-7-16(13)27-21)18-23-15-5-3-4-14(17(15)24-18)19(26)25-20-22-8-9-28-20/h3-10H,11H2,1-2H3,(H,23,24)(H,22,25,26).
What are the key properties of 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58278882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).