1H-benzimidazole;ethane;molecular hydrogen

C9H14N2 — CID 142113314

IUPAC1H-benzimidazole;ethane;molecular hydrogen
SMILESCC.[H][H].c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C2H6.H2/c1-2-4-7-6(3-1)8-5-9-7;1-2;/h1-5H,(H,8,9);1-2H3;1H
InChIKeyXEPDENOVXNRCFT-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.84
Rot. Bonds

About 1H-benzimidazole;ethane;molecular hydrogen

1H-benzimidazole;ethane;molecular hydrogen (PubChem CID 142113314) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1H-benzimidazole;ethane;molecular hydrogen.

Molecular Properties

Compound Name1H-benzimidazole;ethane;molecular hydrogen
PubChem CID142113314
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1H-benzimidazole;ethane;molecular hydrogen
SMILESCC.[H][H].c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C2H6.H2/c1-2-4-7-6(3-1)8-5-9-7;1-2;/h1-5H,(H,8,9);1-2H3;1H
InChIKeyXEPDENOVXNRCFT-UHFFFAOYSA-N
XLogP2.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;ethane;molecular hydrogen?
The IUPAC name of 1H-benzimidazole;ethane;molecular hydrogen (CID 142113314) is 1H-benzimidazole;ethane;molecular hydrogen.
What is the SMILES notation for 1H-benzimidazole;ethane;molecular hydrogen?
The canonical SMILES for 1H-benzimidazole;ethane;molecular hydrogen is CC.[H][H].c1ccc2[nH]cnc2c1.
What is the InChIKey of 1H-benzimidazole;ethane;molecular hydrogen?
The InChIKey is XEPDENOVXNRCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C2H6.H2/c1-2-4-7-6(3-1)8-5-9-7;1-2;/h1-5H,(H,8,9);1-2H3;1H.
What are the key properties of 1H-benzimidazole;ethane;molecular hydrogen?
1H-benzimidazole;ethane;molecular hydrogen has a molecular weight of 150.22 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;ethane;molecular hydrogen is sourced from PubChem (CID 142113314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).