2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-2,5-dicarbohydrazide

C24H24N8O2S — CID 71455740

IUPAC2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-2,5-dicarbohydrazide
SMILESCc1c(C(=O)NNCc2nc3ccccc3[nH]2)sc(C(=O)NNCc2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C24H24N8O2S/c1-13-14(2)22(24(34)32-26-12-20-29-17-9-5-6-10-18(17)30-20)35-21(13)23(33)31-25-11-19-27-15-7-3-4-8-16(15)28-19/h3-10,25-26H,11-12H2,1-2H3,(H,27,28)(H,29,30)(H,31,33)(H,32,34)
InChIKeyKOPPPDJWLWMXPC-UHFFFAOYSA-N
MW488.58 g/mol
LogP2.99
Rot. Bonds8

About 2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-2,5-dicarbohydrazide

2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-2,5-dicarbohydrazide (PubChem CID 71455740) has the molecular formula C24H24N8O2S and a molecular weight of 488.58 g/mol. Its IUPAC name is 2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-2,5-dicarbohydrazide.

Molecular Properties

Compound Name2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-2,5-dicarbohydrazide
PubChem CID71455740
Molecular FormulaC24H24N8O2S
Molecular Weight488.58 g/mol
Exact Mass488.17
IUPAC Name2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-2,5-dicarbohydrazide
SMILESCc1c(C(=O)NNCc2nc3ccccc3[nH]2)sc(C(=O)NNCc2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C24H24N8O2S/c1-13-14(2)22(24(34)32-26-12-20-29-17-9-5-6-10-18(17)30-20)35-21(13)23(33)31-25-11-19-27-15-7-3-4-8-16(15)28-19/h3-10,25-26H,11-12H2,1-2H3,(H,27,28)(H,29,30)(H,31,33)(H,32,34)
InChIKeyKOPPPDJWLWMXPC-UHFFFAOYSA-N
XLogP2.99
TPSA139.62 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 52.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-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 2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-2,5-dicarbohydrazide?
The IUPAC name of 2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-2,5-dicarbohydrazide (CID 71455740) is 2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-2,5-dicarbohydrazide.
What is the SMILES notation for 2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-2,5-dicarbohydrazide?
The canonical SMILES for 2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-2,5-dicarbohydrazide is Cc1c(C(=O)NNCc2nc3ccccc3[nH]2)sc(C(=O)NNCc2nc3ccccc3[nH]2)c1C.
What is the InChIKey of 2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-2,5-dicarbohydrazide?
The InChIKey is KOPPPDJWLWMXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2S/c1-13-14(2)22(24(34)32-26-12-20-29-17-9-5-6-10-18(17)30-20)35-21(13)23(33)31-25-11-19-27-15-7-3-4-8-16(15)28-19/h3-10,25-26H,11-12H2,1-2H3,(H,27,28)(H,29,30)(H,31,33)(H,32,34).
What are the key properties of 2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-2,5-dicarbohydrazide?
2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-2,5-dicarbohydrazide has a molecular weight of 488.58 g/mol, XLogP of 2.99, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',5-N'-bis(1H-benzimidazol-2-ylmethyl)-3,4-dimethylthiophene-2,5-dicarbohydrazide is sourced from PubChem (CID 71455740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).