ethane;2-methyl-1H-benzimidazole;1-methylnaphthalene

C23H30N2 — CID 153400280

IUPACethane;2-methyl-1H-benzimidazole;1-methylnaphthalene
SMILESCC.CC.Cc1cccc2ccccc12.Cc1nc2ccccc2[nH]1
InChIInChI=1S/C11H10.C8H8N2.2C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-6-9-7-4-2-3-5-8(7)10-6;2*1-2/h2-8H,1H3;2-5H,1H3,(H,9,10);2*1-2H3
InChIKeyWLYCDBKZJBKFCS-UHFFFAOYSA-N
MW334.51 g/mol
LogP7.07
Rot. Bonds

About ethane;2-methyl-1H-benzimidazole;1-methylnaphthalene

ethane;2-methyl-1H-benzimidazole;1-methylnaphthalene (PubChem CID 153400280) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is ethane;2-methyl-1H-benzimidazole;1-methylnaphthalene.

Molecular Properties

Compound Nameethane;2-methyl-1H-benzimidazole;1-methylnaphthalene
PubChem CID153400280
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Nameethane;2-methyl-1H-benzimidazole;1-methylnaphthalene
SMILESCC.CC.Cc1cccc2ccccc12.Cc1nc2ccccc2[nH]1
InChIInChI=1S/C11H10.C8H8N2.2C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-6-9-7-4-2-3-5-8(7)10-6;2*1-2/h2-8H,1H3;2-5H,1H3,(H,9,10);2*1-2H3
InChIKeyWLYCDBKZJBKFCS-UHFFFAOYSA-N
XLogP7.07
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1H-benzimidazole
CID 11984
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CID 143453689
carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
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ethane;1-methylnaphthalene;toluene
CID 91013579
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6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole
CID 71321593
2-(1H-benzimidazol-2-ylmethylsulfanyl)-4,8-dimethylquinoline
CID 39766346
ethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane
CID 142052421
2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1H-benzimidazole;1-methylnaphthalene?
The IUPAC name of ethane;2-methyl-1H-benzimidazole;1-methylnaphthalene (CID 153400280) is ethane;2-methyl-1H-benzimidazole;1-methylnaphthalene.
What is the SMILES notation for ethane;2-methyl-1H-benzimidazole;1-methylnaphthalene?
The canonical SMILES for ethane;2-methyl-1H-benzimidazole;1-methylnaphthalene is CC.CC.Cc1cccc2ccccc12.Cc1nc2ccccc2[nH]1.
What is the InChIKey of ethane;2-methyl-1H-benzimidazole;1-methylnaphthalene?
The InChIKey is WLYCDBKZJBKFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C8H8N2.2C2H6/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-6-9-7-4-2-3-5-8(7)10-6;2*1-2/h2-8H,1H3;2-5H,1H3,(H,9,10);2*1-2H3.
What are the key properties of ethane;2-methyl-1H-benzimidazole;1-methylnaphthalene?
ethane;2-methyl-1H-benzimidazole;1-methylnaphthalene has a molecular weight of 334.51 g/mol, XLogP of 7.07, 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;1-methylnaphthalene is sourced from PubChem (CID 153400280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).