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

C14H28N2 — CID 166167875

IUPACethane;2-methyl-1H-benzimidazole;molecular hydrogen
SMILESCC.CC.CC.Cc1nc2ccccc2[nH]1.[H][H]
InChIInChI=1S/C8H8N2.3C2H6.H2/c1-6-9-7-4-2-3-5-8(7)10-6;3*1-2;/h2-5H,1H3,(H,9,10);3*1-2H3;1H
InChIKeyNSOVLRBUKFOTMB-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.20
Rot. Bonds

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

ethane;2-methyl-1H-benzimidazole;molecular hydrogen (PubChem CID 166167875) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;2-methyl-1H-benzimidazole;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-methyl-1H-benzimidazole;molecular hydrogen
PubChem CID166167875
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Nameethane;2-methyl-1H-benzimidazole;molecular hydrogen
SMILESCC.CC.CC.Cc1nc2ccccc2[nH]1.[H][H]
InChIInChI=1S/C8H8N2.3C2H6.H2/c1-6-9-7-4-2-3-5-8(7)10-6;3*1-2;/h2-5H,1H3,(H,9,10);3*1-2H3;1H
InChIKeyNSOVLRBUKFOTMB-UHFFFAOYSA-N
XLogP5.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1H-benzimidazole
CID 11984
methanamine;2-methyl-1H-benzimidazole
CID 143453689
ethane;2-methyl-1H-benzimidazole;1-methylnaphthalene
CID 153400280
1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen
CID 143522303
6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole
CID 71321593
1H-benzimidazole-2-thiolate;ethane;zinc
CID 159834857
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
(3S,7R)-2-azatricyclo[5.2.0.01,3]nonane;2-methyl-1H-benzimidazole
CID 142910448
ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine
CID 156727544
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
2-[(Z)-prop-1-enyl]-1H-benzimidazole
CID 6166899

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1H-benzimidazole;molecular hydrogen?
The IUPAC name of ethane;2-methyl-1H-benzimidazole;molecular hydrogen (CID 166167875) is ethane;2-methyl-1H-benzimidazole;molecular hydrogen.
What is the SMILES notation for ethane;2-methyl-1H-benzimidazole;molecular hydrogen?
The canonical SMILES for ethane;2-methyl-1H-benzimidazole;molecular hydrogen is CC.CC.CC.Cc1nc2ccccc2[nH]1.[H][H].
What is the InChIKey of ethane;2-methyl-1H-benzimidazole;molecular hydrogen?
The InChIKey is NSOVLRBUKFOTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.3C2H6.H2/c1-6-9-7-4-2-3-5-8(7)10-6;3*1-2;/h2-5H,1H3,(H,9,10);3*1-2H3;1H.
What are the key properties of ethane;2-methyl-1H-benzimidazole;molecular hydrogen?
ethane;2-methyl-1H-benzimidazole;molecular hydrogen has a molecular weight of 224.39 g/mol, XLogP of 5.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1H-benzimidazole;molecular hydrogen is sourced from PubChem (CID 166167875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).