1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen

C12H20N2O — CID 143522303

IUPAC1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen
SMILESCC.CC.O=Cc1nc2ccccc2[nH]1.[H][H]
InChIInChI=1S/C8H6N2O.2C2H6.H2/c11-5-8-9-6-3-1-2-4-7(6)10-8;2*1-2;/h1-5H,(H,9,10);2*1-2H3;1H
InChIKeyMQNZDGJXERZNDD-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.67
Rot. Bonds1

About 1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen

1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen (PubChem CID 143522303) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen.

Molecular Properties

Compound Name1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen
PubChem CID143522303
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen
SMILESCC.CC.O=Cc1nc2ccccc2[nH]1.[H][H]
InChIInChI=1S/C8H6N2O.2C2H6.H2/c11-5-8-9-6-3-1-2-4-7(6)10-8;2*1-2;/h1-5H,(H,9,10);2*1-2H3;1H
InChIKeyMQNZDGJXERZNDD-UHFFFAOYSA-N
XLogP3.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethane;2-methyl-1H-benzimidazole;molecular hydrogen
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3-(1H-benzimidazol-2-yl)prop-2-enoic acid
CID 4702151
2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 6048083
[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid
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6-methoxy-1H-benzimidazole-2-carbaldehyde;quinoline
CID 174757019
2-formyl-3H-benzimidazole-5-carbonyl chloride
CID 130881700
2-methyl-1H-benzimidazole
CID 11984
1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde
CID 162810002
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2-[2-(1H-benzimidazol-2-yl)ethenyl]phenol
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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen?
The IUPAC name of 1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen (CID 143522303) is 1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen.
What is the SMILES notation for 1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen?
The canonical SMILES for 1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen is CC.CC.O=Cc1nc2ccccc2[nH]1.[H][H].
What is the InChIKey of 1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen?
The InChIKey is MQNZDGJXERZNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.2C2H6.H2/c11-5-8-9-6-3-1-2-4-7(6)10-8;2*1-2;/h1-5H,(H,9,10);2*1-2H3;1H.
What are the key properties of 1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen?
1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen has a molecular weight of 208.30 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen is sourced from PubChem (CID 143522303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).