acetylene;bis(1H-benzimidazole)

C16H14N4 — CID 143659644

IUPACacetylene;bis(1H-benzimidazole)
SMILESC#C.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/2C7H6N2.C2H2/c2*1-2-4-7-6(3-1)8-5-9-7;1-2/h2*1-5H,(H,8,9);1-2H
InChIKeySVVYSKKVPDPXMD-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.38
Rot. Bonds

About acetylene;bis(1H-benzimidazole)

acetylene;bis(1H-benzimidazole) (PubChem CID 143659644) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is acetylene;bis(1H-benzimidazole).

Molecular Properties

Compound Nameacetylene;bis(1H-benzimidazole)
PubChem CID143659644
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Nameacetylene;bis(1H-benzimidazole)
SMILESC#C.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/2C7H6N2.C2H2/c2*1-2-4-7-6(3-1)8-5-9-7;1-2/h2*1-5H,(H,8,9);1-2H
InChIKeySVVYSKKVPDPXMD-UHFFFAOYSA-N
XLogP3.38
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

disilver;1H-benzimidazole
CID 21437015
bis(1H-benzimidazole);hydrate
CID 23293238
bis(1H-benzimidazole);hydrochloride
CID 163717509
1H-benzimidazole;manganese
CID 158140840
1H-benzimidazole;zinc
CID 162235320
calcium;1H-benzimidazole;hydride
CID 174891856
1H-benzimidazole;cyclopropene
CID 175111337
bis(1H-benzimidazole);dichlorocopper
CID 11984972
1H-benzimidazole;ethane;molecular hydrogen
CID 142113314
1H-benzimidazole;propane;hydroiodide
CID 172791937
bis(1H-benzimidazole);1,2-diethynylbenzene
CID 174737184
1H-benzimidazole;bis(pyrimidine)
CID 162103575

Frequently Asked Questions

What is the IUPAC name of acetylene;bis(1H-benzimidazole)?
The IUPAC name of acetylene;bis(1H-benzimidazole) (CID 143659644) is acetylene;bis(1H-benzimidazole).
What is the SMILES notation for acetylene;bis(1H-benzimidazole)?
The canonical SMILES for acetylene;bis(1H-benzimidazole) is C#C.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.
What is the InChIKey of acetylene;bis(1H-benzimidazole)?
The InChIKey is SVVYSKKVPDPXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6N2.C2H2/c2*1-2-4-7-6(3-1)8-5-9-7;1-2/h2*1-5H,(H,8,9);1-2H.
What are the key properties of acetylene;bis(1H-benzimidazole)?
acetylene;bis(1H-benzimidazole) has a molecular weight of 262.32 g/mol, XLogP of 3.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;bis(1H-benzimidazole) is sourced from PubChem (CID 143659644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).