bis(1H-benzimidazole);1,2-diethynylbenzene

C24H18N4 — CID 174737184

IUPACbis(1H-benzimidazole);1,2-diethynylbenzene
SMILESC#Cc1ccccc1C#C.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C10H6.2C7H6N2/c1-3-9-7-5-6-8-10(9)4-2;2*1-2-4-7-6(3-1)8-5-9-7/h1-2,5-8H;2*1-5H,(H,8,9)
InChIKeyZEENBUCDPHEJFQ-UHFFFAOYSA-N
MW362.44 g/mol
LogP4.78
Rot. Bonds

About bis(1H-benzimidazole);1,2-diethynylbenzene

bis(1H-benzimidazole);1,2-diethynylbenzene (PubChem CID 174737184) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is bis(1H-benzimidazole);1,2-diethynylbenzene.

Molecular Properties

Compound Namebis(1H-benzimidazole);1,2-diethynylbenzene
PubChem CID174737184
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Namebis(1H-benzimidazole);1,2-diethynylbenzene
SMILESC#Cc1ccccc1C#C.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C10H6.2C7H6N2/c1-3-9-7-5-6-8-10(9)4-2;2*1-2-4-7-6(3-1)8-5-9-7/h1-2,5-8H;2*1-5H,(H,8,9)
InChIKeyZEENBUCDPHEJFQ-UHFFFAOYSA-N
XLogP4.78
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1H-benzimidazole);1,2-diethynylbenzene?
The IUPAC name of bis(1H-benzimidazole);1,2-diethynylbenzene (CID 174737184) is bis(1H-benzimidazole);1,2-diethynylbenzene.
What is the SMILES notation for bis(1H-benzimidazole);1,2-diethynylbenzene?
The canonical SMILES for bis(1H-benzimidazole);1,2-diethynylbenzene is C#Cc1ccccc1C#C.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.
What is the InChIKey of bis(1H-benzimidazole);1,2-diethynylbenzene?
The InChIKey is ZEENBUCDPHEJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6.2C7H6N2/c1-3-9-7-5-6-8-10(9)4-2;2*1-2-4-7-6(3-1)8-5-9-7/h1-2,5-8H;2*1-5H,(H,8,9).
What are the key properties of bis(1H-benzimidazole);1,2-diethynylbenzene?
bis(1H-benzimidazole);1,2-diethynylbenzene has a molecular weight of 362.44 g/mol, XLogP of 4.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-benzimidazole);1,2-diethynylbenzene is sourced from PubChem (CID 174737184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).