2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide

C17H11F2N5OS2 — CID 56563791

IUPAC2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccccc1Sc1nncs1)c1ccc2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C17H11F2N5OS2/c18-14(19)15-21-10-6-5-9(7-12(10)22-15)16(25)23-11-3-1-2-4-13(11)27-17-24-20-8-26-17/h1-8,14H,(H,21,22)(H,23,25)
InChIKeyUIWGYETYHHIPCA-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.76
Rot. Bonds5

About 2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide

2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 56563791) has the molecular formula C17H11F2N5OS2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID56563791
Molecular FormulaC17H11F2N5OS2
Molecular Weight403.44 g/mol
Exact Mass403.04
IUPAC Name2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccccc1Sc1nncs1)c1ccc2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C17H11F2N5OS2/c18-14(19)15-21-10-6-5-9(7-12(10)22-15)16(25)23-11-3-1-2-4-13(11)27-17-24-20-8-26-17/h1-8,14H,(H,21,22)(H,23,25)
InChIKeyUIWGYETYHHIPCA-UHFFFAOYSA-N
XLogP4.76
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-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-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 56553741
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide
CID 56561159
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide
CID 56564014
2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 56563825
3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid
CID 167851863
2-(difluoromethyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 56563980
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide
CID 75391622
2-(difluoromethyl)-N-[4-(pyrimidin-2-ylamino)sulfanylphenyl]-3H-benzimidazole-5-carboxamide
CID 145039648
4-[[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 154862991
2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561316
2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 56561489
2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate
CID 56561529

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 56563791) is 2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide is O=C(Nc1ccccc1Sc1nncs1)c1ccc2nc(C(F)F)[nH]c2c1.
What is the InChIKey of 2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is UIWGYETYHHIPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5OS2/c18-14(19)15-21-10-6-5-9(7-12(10)22-15)16(25)23-11-3-1-2-4-13(11)27-17-24-20-8-26-17/h1-8,14H,(H,21,22)(H,23,25).
What are the key properties of 2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide?
2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56563791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).