3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide

C30H36N8O2S — CID 71455741

IUPAC3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide
SMILESCCCn1c(CNNC(=O)c2sc(C(=O)NNCc3nc4ccccc4n3CCC)c(C)c2C)nc2ccccc21
InChIInChI=1S/C30H36N8O2S/c1-5-15-37-23-13-9-7-11-21(23)33-25(37)17-31-35-29(39)27-19(3)20(4)28(41-27)30(40)36-32-18-26-34-22-12-8-10-14-24(22)38(26)16-6-2/h7-14,31-32H,5-6,15-18H2,1-4H3,(H,35,39)(H,36,40)
InChIKeyHVCTUVOPOLWDRW-UHFFFAOYSA-N
MW572.74 g/mol
LogP4.75
Rot. Bonds12

About 3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide

3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide (PubChem CID 71455741) has the molecular formula C30H36N8O2S and a molecular weight of 572.74 g/mol. Its IUPAC name is 3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide.

Molecular Properties

Compound Name3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide
PubChem CID71455741
Molecular FormulaC30H36N8O2S
Molecular Weight572.74 g/mol
Exact Mass572.27
IUPAC Name3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide
SMILESCCCn1c(CNNC(=O)c2sc(C(=O)NNCc3nc4ccccc4n3CCC)c(C)c2C)nc2ccccc21
InChIInChI=1S/C30H36N8O2S/c1-5-15-37-23-13-9-7-11-21(23)33-25(37)17-31-35-29(39)27-19(3)20(4)28(41-27)30(40)36-32-18-26-34-22-12-8-10-14-24(22)38(26)16-6-2/h7-14,31-32H,5-6,15-18H2,1-4H3,(H,35,39)(H,36,40)
InChIKeyHVCTUVOPOLWDRW-UHFFFAOYSA-N
XLogP4.75
TPSA117.90 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.74
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide?
The IUPAC name of 3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide (CID 71455741) is 3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide.
What is the SMILES notation for 3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide?
The canonical SMILES for 3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide is CCCn1c(CNNC(=O)c2sc(C(=O)NNCc3nc4ccccc4n3CCC)c(C)c2C)nc2ccccc21.
What is the InChIKey of 3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide?
The InChIKey is HVCTUVOPOLWDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N8O2S/c1-5-15-37-23-13-9-7-11-21(23)33-25(37)17-31-35-29(39)27-19(3)20(4)28(41-27)30(40)36-32-18-26-34-22-12-8-10-14-24(22)38(26)16-6-2/h7-14,31-32H,5-6,15-18H2,1-4H3,(H,35,39)(H,36,40).
What are the key properties of 3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide?
3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide has a molecular weight of 572.74 g/mol, XLogP of 4.75, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-N',5-N'-bis[(1-propylbenzimidazol-2-yl)methyl]thiophene-2,5-dicarbohydrazide is sourced from PubChem (CID 71455741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).