2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole

C17H14N4S — CID 58433286

IUPAC2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole
SMILESc1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)s2)cc1
InChIInChI=1S/C17H14N4S/c1-2-4-12(5-3-1)6-9-16-20-21-17(22-16)13-7-8-14-15(10-13)19-11-18-14/h1-5,7-8,10-11H,6,9H2,(H,18,19)
InChIKeyRTWPGCQKPUAQPX-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.87
Rot. Bonds4

About 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole

2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole (PubChem CID 58433286) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole
PubChem CID58433286
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole
SMILESc1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)s2)cc1
InChIInChI=1S/C17H14N4S/c1-2-4-12(5-3-1)6-9-16-20-21-17(22-16)13-7-8-14-15(10-13)19-11-18-14/h1-5,7-8,10-11H,6,9H2,(H,18,19)
InChIKeyRTWPGCQKPUAQPX-UHFFFAOYSA-N
XLogP3.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole 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-(5-{4-[Amino(imino)methyl]phenyl}-2-thienyl)-1H-benzimidazole-6-carboximidamide dihydrochloride
CID 449090
2-(1H-imidazol-2-ylmethyl)-1H-benzimidazole-6-carboximidamide
CID 10466809
3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine
CID 380675
1H-Benzimidazole, 5,5'-methylenebis-
CID 6484686
1-(isopropylsulfonyl)-6-(4-phenyl-1H-imidazol-5-yl)-1H-benzo[d]imidazol-2-amine
CID 11326501
1-(1H-Benzoimidazol-5-ylmethyl)-3-(4-tert-butyl-benzyl)-thiourea
CID 11624515
2-(1H-imidazol-4-yl)-1H-benzoimidazole-5-carboxamidine
CID 22125586
6-[1-(2-phenylethyl)triazol-4-yl]-1H-benzimidazole
CID 53379085
5-(5-(2,4-Difluorophenethyl)-1,3,4-thiadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433251
6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
CID 44579916
5-(3H-benzimidazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 83534673
5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 83640713

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole (CID 58433286) is 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole is c1ccc(CCc2nnc(-c3ccc4nc[nH]c4c3)s2)cc1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole?
The InChIKey is RTWPGCQKPUAQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-2-4-12(5-3-1)6-9-16-20-21-17(22-16)13-7-8-14-15(10-13)19-11-18-14/h1-5,7-8,10-11H,6,9H2,(H,18,19).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole?
2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole has a molecular weight of 306.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-5-(2-phenylethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 58433286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).